USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4.7!) USER MOD Set 2.2: A 99 SER OG : rot -89:sc= 1.28 USER MOD Set 3.1: A 50 ASN : amide:sc= 0.109 K(o=-1.4,f=-1.9) USER MOD Set 3.2: A 53 MET CE :methyl -173:sc= 0 (180deg=-0.0336) USER MOD Set 3.3: A 86 ASN : amide:sc= -1.53 K(o=-1.4,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.122 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 0.0369 (180deg=0.00727) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.119 (180deg=-0.896) USER MOD Single : A 31 MET CE :methyl 177:sc= -0.86 (180deg=-0.874) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.017) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.142 K(o=0.14,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 0.963 (180deg=0.404) USER MOD Single : A 57 THR OG1 : rot 107:sc= 1.21 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.637 K(o=0.64,f=-6.2!) USER MOD Single : A 68 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.97) USER MOD Single : A 72 THR OG1 : rot 100:sc= 1.3 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 72:sc= 1.26 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc=-0.00574 K(o=-0.0057,f=-2.7!) USER MOD Single : A 104 SER OG : rot 54:sc= -0.0204 USER MOD Single : A 107 THR OG1 : rot -18:sc= 0.13 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.482 5.806 -13.211 1.00 0.00 N ATOM 2 CA GLY A 1 24.815 6.116 -11.947 1.00 0.00 C ATOM 3 C GLY A 1 23.396 5.583 -11.937 1.00 0.00 C ATOM 4 O GLY A 1 23.004 4.826 -12.825 1.00 0.00 O ATOM 0 H1 GLY A 1 26.314 5.210 -13.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.823 5.298 -13.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.784 6.689 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.376 5.682 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.803 7.195 -11.793 1.00 0.00 H new ATOM 8 N SER A 2 22.614 5.956 -10.923 1.00 0.00 N ATOM 9 CA SER A 2 21.218 5.563 -10.806 1.00 0.00 C ATOM 10 C SER A 2 20.468 6.604 -9.974 1.00 0.00 C ATOM 11 O SER A 2 19.608 7.301 -10.517 1.00 0.00 O ATOM 12 CB SER A 2 21.115 4.135 -10.236 1.00 0.00 C ATOM 13 OG SER A 2 20.452 3.282 -11.149 1.00 0.00 O ATOM 0 H SER A 2 22.939 6.544 -10.156 1.00 0.00 H new ATOM 0 HA SER A 2 20.745 5.535 -11.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.112 3.748 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.575 4.153 -9.289 1.00 0.00 H new ATOM 0 HG SER A 2 20.397 2.379 -10.772 1.00 0.00 H new ATOM 19 N SER A 3 20.798 6.749 -8.689 1.00 0.00 N ATOM 20 CA SER A 3 20.165 7.733 -7.813 1.00 0.00 C ATOM 21 C SER A 3 20.573 9.171 -8.174 1.00 0.00 C ATOM 22 O SER A 3 21.346 9.390 -9.110 1.00 0.00 O ATOM 23 CB SER A 3 20.464 7.384 -6.350 1.00 0.00 C ATOM 24 OG SER A 3 21.852 7.298 -6.101 1.00 0.00 O ATOM 0 H SER A 3 21.513 6.186 -8.227 1.00 0.00 H new ATOM 0 HA SER A 3 19.085 7.692 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.025 8.140 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.991 6.435 -6.099 1.00 0.00 H new ATOM 0 HG SER A 3 22.002 7.076 -5.158 1.00 0.00 H new ATOM 30 N GLY A 4 20.062 10.163 -7.438 1.00 0.00 N ATOM 31 CA GLY A 4 20.206 11.566 -7.806 1.00 0.00 C ATOM 32 C GLY A 4 19.154 11.922 -8.851 1.00 0.00 C ATOM 33 O GLY A 4 18.139 11.227 -8.943 1.00 0.00 O ATOM 0 H GLY A 4 19.540 10.012 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.090 12.199 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.205 11.750 -8.201 1.00 0.00 H new ATOM 37 N SER A 5 19.363 13.021 -9.577 1.00 0.00 N ATOM 38 CA SER A 5 18.447 13.582 -10.568 1.00 0.00 C ATOM 39 C SER A 5 17.131 14.018 -9.913 1.00 0.00 C ATOM 40 O SER A 5 16.261 13.186 -9.660 1.00 0.00 O ATOM 41 CB SER A 5 18.221 12.613 -11.740 1.00 0.00 C ATOM 42 OG SER A 5 19.422 11.998 -12.186 1.00 0.00 O ATOM 0 H SER A 5 20.218 13.570 -9.485 1.00 0.00 H new ATOM 0 HA SER A 5 18.910 14.475 -10.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.514 11.841 -11.436 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.765 13.154 -12.570 1.00 0.00 H new ATOM 0 HG SER A 5 19.222 11.392 -12.930 1.00 0.00 H new ATOM 48 N SER A 6 17.004 15.311 -9.606 1.00 0.00 N ATOM 49 CA SER A 6 15.769 15.999 -9.219 1.00 0.00 C ATOM 50 C SER A 6 14.781 15.169 -8.377 1.00 0.00 C ATOM 51 O SER A 6 13.899 14.499 -8.920 1.00 0.00 O ATOM 52 CB SER A 6 15.097 16.508 -10.498 1.00 0.00 C ATOM 53 OG SER A 6 15.986 17.344 -11.214 1.00 0.00 O ATOM 0 H SER A 6 17.805 15.942 -9.622 1.00 0.00 H new ATOM 0 HA SER A 6 16.055 16.813 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.797 15.665 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.190 17.058 -10.247 1.00 0.00 H new ATOM 0 HG SER A 6 15.549 17.663 -12.031 1.00 0.00 H new ATOM 59 N GLY A 7 14.894 15.225 -7.049 1.00 0.00 N ATOM 60 CA GLY A 7 13.923 14.654 -6.124 1.00 0.00 C ATOM 61 C GLY A 7 13.920 15.459 -4.829 1.00 0.00 C ATOM 62 O GLY A 7 14.954 16.012 -4.443 1.00 0.00 O ATOM 0 H GLY A 7 15.679 15.678 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.929 14.662 -6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.171 13.613 -5.917 1.00 0.00 H new ATOM 66 N THR A 8 12.786 15.494 -4.134 1.00 0.00 N ATOM 67 CA THR A 8 12.538 16.345 -2.973 1.00 0.00 C ATOM 68 C THR A 8 11.782 15.535 -1.898 1.00 0.00 C ATOM 69 O THR A 8 11.653 14.316 -2.042 1.00 0.00 O ATOM 70 CB THR A 8 11.834 17.618 -3.487 1.00 0.00 C ATOM 71 OG1 THR A 8 11.855 18.662 -2.531 1.00 0.00 O ATOM 72 CG2 THR A 8 10.385 17.378 -3.922 1.00 0.00 C ATOM 0 H THR A 8 11.985 14.909 -4.372 1.00 0.00 H new ATOM 0 HA THR A 8 13.446 16.675 -2.468 1.00 0.00 H new ATOM 0 HB THR A 8 12.409 17.914 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.401 19.450 -2.897 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.950 18.314 -4.272 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.364 16.644 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.808 17.004 -3.076 1.00 0.00 H new ATOM 80 N VAL A 9 11.356 16.152 -0.791 1.00 0.00 N ATOM 81 CA VAL A 9 10.381 15.574 0.128 1.00 0.00 C ATOM 82 C VAL A 9 9.542 16.719 0.702 1.00 0.00 C ATOM 83 O VAL A 9 10.056 17.626 1.361 1.00 0.00 O ATOM 84 CB VAL A 9 11.043 14.651 1.184 1.00 0.00 C ATOM 85 CG1 VAL A 9 12.093 15.309 2.089 1.00 0.00 C ATOM 86 CG2 VAL A 9 9.980 13.993 2.072 1.00 0.00 C ATOM 0 H VAL A 9 11.684 17.076 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 9 9.707 14.898 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 9 11.580 13.918 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.487 14.570 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.906 15.701 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.633 16.125 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.466 13.350 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.409 14.765 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.309 13.396 1.455 1.00 0.00 H new ATOM 96 N ALA A 10 8.234 16.706 0.451 1.00 0.00 N ATOM 97 CA ALA A 10 7.278 17.716 0.890 1.00 0.00 C ATOM 98 C ALA A 10 6.899 17.557 2.374 1.00 0.00 C ATOM 99 O ALA A 10 5.722 17.688 2.729 1.00 0.00 O ATOM 100 CB ALA A 10 6.044 17.636 -0.019 1.00 0.00 C ATOM 0 H ALA A 10 7.795 15.959 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 10 7.737 18.701 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.314 18.384 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.340 17.824 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.600 16.643 0.056 1.00 0.00 H new ATOM 106 N SER A 11 7.869 17.257 3.240 1.00 0.00 N ATOM 107 CA SER A 11 7.646 17.042 4.661 1.00 0.00 C ATOM 108 C SER A 11 6.950 18.264 5.272 1.00 0.00 C ATOM 109 O SER A 11 7.265 19.409 4.931 1.00 0.00 O ATOM 110 CB SER A 11 8.981 16.730 5.345 1.00 0.00 C ATOM 111 OG SER A 11 8.747 16.175 6.622 1.00 0.00 O ATOM 0 H SER A 11 8.846 17.156 2.964 1.00 0.00 H new ATOM 0 HA SER A 11 6.987 16.187 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.558 16.034 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.574 17.640 5.437 1.00 0.00 H new ATOM 0 HG SER A 11 9.604 15.976 7.054 1.00 0.00 H new ATOM 117 N ARG A 12 5.972 18.010 6.141 1.00 0.00 N ATOM 118 CA ARG A 12 5.178 18.980 6.887 1.00 0.00 C ATOM 119 C ARG A 12 4.539 18.210 8.047 1.00 0.00 C ATOM 120 O ARG A 12 4.265 17.017 7.889 1.00 0.00 O ATOM 121 CB ARG A 12 4.134 19.583 5.936 1.00 0.00 C ATOM 122 CG ARG A 12 3.279 20.691 6.561 1.00 0.00 C ATOM 123 CD ARG A 12 2.305 21.200 5.503 1.00 0.00 C ATOM 124 NE ARG A 12 1.255 22.052 6.073 1.00 0.00 N ATOM 125 CZ ARG A 12 0.104 22.316 5.449 1.00 0.00 C ATOM 126 NH1 ARG A 12 -0.053 22.019 4.164 1.00 0.00 N ATOM 127 NH2 ARG A 12 -0.895 22.882 6.109 1.00 0.00 N ATOM 0 H ARG A 12 5.696 17.052 6.356 1.00 0.00 H new ATOM 0 HA ARG A 12 5.767 19.806 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.645 19.984 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.477 18.787 5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.735 20.309 7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.912 21.504 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.854 21.762 4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.845 20.351 4.997 1.00 0.00 H new ATOM 0 HE ARG A 12 1.412 22.464 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.710 21.585 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.936 22.225 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.786 23.117 7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.773 23.083 5.631 1.00 0.00 H new ATOM 141 N LEU A 13 4.288 18.846 9.192 1.00 0.00 N ATOM 142 CA LEU A 13 3.589 18.192 10.302 1.00 0.00 C ATOM 143 C LEU A 13 2.131 17.931 9.915 1.00 0.00 C ATOM 144 O LEU A 13 1.570 18.648 9.080 1.00 0.00 O ATOM 145 CB LEU A 13 3.622 19.067 11.575 1.00 0.00 C ATOM 146 CG LEU A 13 4.875 18.992 12.468 1.00 0.00 C ATOM 147 CD1 LEU A 13 5.187 17.558 12.905 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.117 19.639 11.858 1.00 0.00 C ATOM 0 H LEU A 13 4.557 19.812 9.376 1.00 0.00 H new ATOM 0 HA LEU A 13 4.097 17.250 10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.490 20.105 11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.759 18.801 12.186 1.00 0.00 H new ATOM 0 HG LEU A 13 4.617 19.581 13.348 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.078 17.555 13.533 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.344 17.158 13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.361 16.939 12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.954 19.543 12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.363 19.142 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.922 20.695 11.669 1.00 0.00 H new ATOM 160 N SER A 14 1.486 16.962 10.563 1.00 0.00 N ATOM 161 CA SER A 14 0.039 16.768 10.523 1.00 0.00 C ATOM 162 C SER A 14 -0.413 16.041 11.801 1.00 0.00 C ATOM 163 O SER A 14 0.370 15.892 12.752 1.00 0.00 O ATOM 164 CB SER A 14 -0.404 16.098 9.200 1.00 0.00 C ATOM 165 OG SER A 14 0.574 15.262 8.606 1.00 0.00 O ATOM 0 H SER A 14 1.967 16.275 11.143 1.00 0.00 H new ATOM 0 HA SER A 14 -0.473 17.730 10.519 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.301 15.508 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.679 16.876 8.488 1.00 0.00 H new ATOM 0 HG SER A 14 0.217 14.877 7.779 1.00 0.00 H new ATOM 171 N ASP A 15 -1.692 15.679 11.893 1.00 0.00 N ATOM 172 CA ASP A 15 -2.220 14.791 12.928 1.00 0.00 C ATOM 173 C ASP A 15 -1.475 13.461 12.849 1.00 0.00 C ATOM 174 O ASP A 15 -1.358 12.914 11.761 1.00 0.00 O ATOM 175 CB ASP A 15 -3.712 14.550 12.687 1.00 0.00 C ATOM 176 CG ASP A 15 -4.197 13.302 13.416 1.00 0.00 C ATOM 177 OD1 ASP A 15 -3.887 13.160 14.618 1.00 0.00 O ATOM 178 OD2 ASP A 15 -4.850 12.448 12.782 1.00 0.00 O ATOM 0 H ASP A 15 -2.404 16.001 11.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.085 15.243 13.911 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.282 15.416 13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.897 14.444 11.618 1.00 0.00 H new ATOM 183 N THR A 16 -0.975 12.928 13.962 1.00 0.00 N ATOM 184 CA THR A 16 -0.128 11.743 13.970 1.00 0.00 C ATOM 185 C THR A 16 -0.856 10.533 13.374 1.00 0.00 C ATOM 186 O THR A 16 -0.224 9.776 12.626 1.00 0.00 O ATOM 187 CB THR A 16 0.399 11.511 15.394 1.00 0.00 C ATOM 188 OG1 THR A 16 1.286 12.565 15.741 1.00 0.00 O ATOM 189 CG2 THR A 16 1.190 10.213 15.560 1.00 0.00 C ATOM 0 H THR A 16 -1.150 13.312 14.891 1.00 0.00 H new ATOM 0 HA THR A 16 0.737 11.897 13.324 1.00 0.00 H new ATOM 0 HB THR A 16 -0.485 11.462 16.030 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.624 12.422 16.650 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.528 10.122 16.592 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.553 9.364 15.311 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.054 10.226 14.896 1.00 0.00 H new ATOM 197 N LYS A 17 -2.162 10.354 13.623 1.00 0.00 N ATOM 198 CA LYS A 17 -2.909 9.255 13.010 1.00 0.00 C ATOM 199 C LYS A 17 -2.864 9.427 11.492 1.00 0.00 C ATOM 200 O LYS A 17 -2.377 8.526 10.809 1.00 0.00 O ATOM 201 CB LYS A 17 -4.336 9.195 13.584 1.00 0.00 C ATOM 202 CG LYS A 17 -5.079 7.873 13.336 1.00 0.00 C ATOM 203 CD LYS A 17 -5.634 7.748 11.914 1.00 0.00 C ATOM 204 CE LYS A 17 -6.627 6.586 11.816 1.00 0.00 C ATOM 205 NZ LYS A 17 -7.154 6.458 10.443 1.00 0.00 N ATOM 0 H LYS A 17 -2.714 10.951 14.238 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.457 8.292 13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.287 9.371 14.659 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.919 10.009 13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.401 7.041 13.528 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.900 7.786 14.048 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.126 8.678 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.815 7.592 11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.137 5.658 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.450 6.746 12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.060 5.948 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.299 7.405 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.474 5.931 9.858 1.00 0.00 H new ATOM 219 N ALA A 18 -3.224 10.603 10.975 1.00 0.00 N ATOM 220 CA ALA A 18 -3.160 10.886 9.545 1.00 0.00 C ATOM 221 C ALA A 18 -1.735 10.764 8.991 1.00 0.00 C ATOM 222 O ALA A 18 -1.549 10.284 7.875 1.00 0.00 O ATOM 223 CB ALA A 18 -3.710 12.289 9.272 1.00 0.00 C ATOM 0 H ALA A 18 -3.567 11.383 11.536 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.770 10.141 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.661 12.497 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.746 12.345 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.115 13.025 9.813 1.00 0.00 H new ATOM 229 N ALA A 19 -0.729 11.206 9.744 1.00 0.00 N ATOM 230 CA ALA A 19 0.644 11.377 9.296 1.00 0.00 C ATOM 231 C ALA A 19 1.366 10.049 9.080 1.00 0.00 C ATOM 232 O ALA A 19 2.344 10.011 8.333 1.00 0.00 O ATOM 233 CB ALA A 19 1.416 12.238 10.296 1.00 0.00 C ATOM 0 H ALA A 19 -0.858 11.464 10.722 1.00 0.00 H new ATOM 0 HA ALA A 19 0.604 11.877 8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.443 12.361 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.941 13.216 10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.415 11.752 11.272 1.00 0.00 H new ATOM 239 N GLY A 20 0.918 8.955 9.702 1.00 0.00 N ATOM 240 CA GLY A 20 1.447 7.622 9.425 1.00 0.00 C ATOM 241 C GLY A 20 1.014 7.178 8.040 1.00 0.00 C ATOM 242 O GLY A 20 1.848 6.794 7.221 1.00 0.00 O ATOM 0 H GLY A 20 0.182 8.971 10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.535 7.631 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.088 6.915 10.173 1.00 0.00 H new ATOM 246 N GLU A 21 -0.285 7.301 7.760 1.00 0.00 N ATOM 247 CA GLU A 21 -0.848 7.096 6.435 1.00 0.00 C ATOM 248 C GLU A 21 -0.146 7.998 5.417 1.00 0.00 C ATOM 249 O GLU A 21 0.361 7.485 4.427 1.00 0.00 O ATOM 250 CB GLU A 21 -2.366 7.314 6.472 1.00 0.00 C ATOM 251 CG GLU A 21 -3.142 6.055 6.879 1.00 0.00 C ATOM 252 CD GLU A 21 -3.065 5.646 8.356 1.00 0.00 C ATOM 253 OE1 GLU A 21 -3.650 6.343 9.216 1.00 0.00 O ATOM 254 OE2 GLU A 21 -2.521 4.564 8.671 1.00 0.00 O ATOM 0 H GLU A 21 -0.982 7.550 8.462 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.679 6.067 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.595 8.118 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.705 7.641 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.191 6.203 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.780 5.222 6.276 1.00 0.00 H new ATOM 261 N VAL A 22 -0.033 9.305 5.672 1.00 0.00 N ATOM 262 CA VAL A 22 0.636 10.239 4.765 1.00 0.00 C ATOM 263 C VAL A 22 2.099 9.849 4.550 1.00 0.00 C ATOM 264 O VAL A 22 2.553 9.909 3.416 1.00 0.00 O ATOM 265 CB VAL A 22 0.500 11.688 5.272 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.339 12.700 4.477 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.960 12.157 5.222 1.00 0.00 C ATOM 0 H VAL A 22 -0.404 9.745 6.515 1.00 0.00 H new ATOM 0 HA VAL A 22 0.142 10.182 3.795 1.00 0.00 H new ATOM 0 HB VAL A 22 0.870 11.660 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.193 13.698 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.393 12.430 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.027 12.691 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.025 13.183 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.321 12.112 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.572 11.510 5.850 1.00 0.00 H new ATOM 277 N LYS A 23 2.861 9.444 5.577 1.00 0.00 N ATOM 278 CA LYS A 23 4.251 9.048 5.362 1.00 0.00 C ATOM 279 C LYS A 23 4.290 7.878 4.391 1.00 0.00 C ATOM 280 O LYS A 23 5.070 7.896 3.447 1.00 0.00 O ATOM 281 CB LYS A 23 4.946 8.676 6.680 1.00 0.00 C ATOM 282 CG LYS A 23 6.463 8.584 6.437 1.00 0.00 C ATOM 283 CD LYS A 23 7.242 7.932 7.585 1.00 0.00 C ATOM 284 CE LYS A 23 8.686 7.688 7.131 1.00 0.00 C ATOM 285 NZ LYS A 23 9.566 7.190 8.207 1.00 0.00 N ATOM 0 H LYS A 23 2.542 9.384 6.544 1.00 0.00 H new ATOM 0 HA LYS A 23 4.793 9.896 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.732 9.424 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.566 7.724 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.640 8.016 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.855 9.587 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.227 8.576 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.773 6.991 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.684 6.969 6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.097 8.618 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.526 7.047 7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.596 7.885 8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.197 6.287 8.567 1.00 0.00 H new ATOM 299 N ALA A 24 3.452 6.871 4.631 1.00 0.00 N ATOM 300 CA ALA A 24 3.357 5.716 3.755 1.00 0.00 C ATOM 301 C ALA A 24 2.945 6.131 2.337 1.00 0.00 C ATOM 302 O ALA A 24 3.551 5.665 1.381 1.00 0.00 O ATOM 303 CB ALA A 24 2.413 4.682 4.368 1.00 0.00 C ATOM 0 H ALA A 24 2.825 6.837 5.435 1.00 0.00 H new ATOM 0 HA ALA A 24 4.338 5.251 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.344 3.817 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.797 4.369 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.424 5.122 4.494 1.00 0.00 H new ATOM 309 N LEU A 25 1.968 7.026 2.177 1.00 0.00 N ATOM 310 CA LEU A 25 1.584 7.561 0.871 1.00 0.00 C ATOM 311 C LEU A 25 2.794 8.199 0.186 1.00 0.00 C ATOM 312 O LEU A 25 2.979 8.020 -1.014 1.00 0.00 O ATOM 313 CB LEU A 25 0.499 8.632 1.035 1.00 0.00 C ATOM 314 CG LEU A 25 -0.050 9.164 -0.303 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.316 8.465 -0.805 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.310 10.646 -0.116 1.00 0.00 C ATOM 0 H LEU A 25 1.420 7.400 2.952 1.00 0.00 H new ATOM 0 HA LEU A 25 1.204 6.738 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.324 8.217 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.906 9.465 1.608 1.00 0.00 H new ATOM 0 HG LEU A 25 0.695 8.960 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.625 8.908 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.112 7.404 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.113 8.584 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.701 11.066 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.037 10.790 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.621 11.149 0.146 1.00 0.00 H new ATOM 328 N ASP A 26 3.582 8.973 0.932 1.00 0.00 N ATOM 329 CA ASP A 26 4.692 9.761 0.416 1.00 0.00 C ATOM 330 C ASP A 26 5.825 8.871 -0.034 1.00 0.00 C ATOM 331 O ASP A 26 6.387 9.069 -1.108 1.00 0.00 O ATOM 332 CB ASP A 26 5.254 10.683 1.503 1.00 0.00 C ATOM 333 CG ASP A 26 5.831 11.949 0.896 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.122 12.640 0.129 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.950 12.357 1.286 1.00 0.00 O ATOM 0 H ASP A 26 3.459 9.069 1.940 1.00 0.00 H new ATOM 0 HA ASP A 26 4.304 10.340 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.465 10.941 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.027 10.159 2.065 1.00 0.00 H new ATOM 340 N ASP A 27 6.186 7.927 0.836 1.00 0.00 N ATOM 341 CA ASP A 27 7.302 7.022 0.642 1.00 0.00 C ATOM 342 C ASP A 27 6.982 6.135 -0.561 1.00 0.00 C ATOM 343 O ASP A 27 7.828 5.936 -1.435 1.00 0.00 O ATOM 344 CB ASP A 27 7.518 6.182 1.919 1.00 0.00 C ATOM 345 CG ASP A 27 8.843 5.407 1.953 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.903 6.050 2.158 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.851 4.157 1.922 1.00 0.00 O ATOM 0 H ASP A 27 5.693 7.773 1.715 1.00 0.00 H new ATOM 0 HA ASP A 27 8.224 7.571 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.475 6.843 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.695 5.474 2.017 1.00 0.00 H new ATOM 352 N PHE A 28 5.715 5.697 -0.636 1.00 0.00 N ATOM 353 CA PHE A 28 5.136 5.007 -1.769 1.00 0.00 C ATOM 354 C PHE A 28 5.259 5.862 -3.031 1.00 0.00 C ATOM 355 O PHE A 28 5.868 5.430 -4.007 1.00 0.00 O ATOM 356 CB PHE A 28 3.681 4.604 -1.488 1.00 0.00 C ATOM 357 CG PHE A 28 3.040 3.889 -2.653 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.486 4.626 -3.714 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.044 2.487 -2.710 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.941 3.973 -4.823 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.531 1.840 -3.845 1.00 0.00 C ATOM 362 CZ PHE A 28 1.986 2.580 -4.910 1.00 0.00 C ATOM 0 H PHE A 28 5.051 5.826 0.128 1.00 0.00 H new ATOM 0 HA PHE A 28 5.693 4.085 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.650 3.959 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.101 5.495 -1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.481 5.705 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.439 1.910 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.484 4.547 -5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.555 0.762 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.606 2.076 -5.786 1.00 0.00 H new ATOM 372 N TYR A 29 4.676 7.068 -3.047 1.00 0.00 N ATOM 373 CA TYR A 29 4.630 7.897 -4.250 1.00 0.00 C ATOM 374 C TYR A 29 5.990 8.256 -4.809 1.00 0.00 C ATOM 375 O TYR A 29 6.154 8.361 -6.025 1.00 0.00 O ATOM 376 CB TYR A 29 3.921 9.212 -3.946 1.00 0.00 C ATOM 377 CG TYR A 29 2.454 9.209 -4.252 1.00 0.00 C ATOM 378 CD1 TYR A 29 1.955 8.537 -5.382 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.605 9.972 -3.441 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.603 8.639 -5.703 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.246 10.096 -3.773 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.261 9.420 -4.905 1.00 0.00 C ATOM 383 OH TYR A 29 -1.575 9.510 -5.220 1.00 0.00 O ATOM 0 H TYR A 29 4.228 7.490 -2.233 1.00 0.00 H new ATOM 0 HA TYR A 29 4.103 7.294 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.059 9.450 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.397 10.008 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.616 7.945 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.994 10.464 -2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.214 8.118 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.408 10.705 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.863 8.684 -5.662 1.00 0.00 H new ATOM 393 N LYS A 30 6.951 8.474 -3.920 1.00 0.00 N ATOM 394 CA LYS A 30 8.347 8.642 -4.291 1.00 0.00 C ATOM 395 C LYS A 30 8.755 7.520 -5.242 1.00 0.00 C ATOM 396 O LYS A 30 9.211 7.778 -6.352 1.00 0.00 O ATOM 397 CB LYS A 30 9.228 8.673 -3.028 1.00 0.00 C ATOM 398 CG LYS A 30 10.287 9.761 -3.185 1.00 0.00 C ATOM 399 CD LYS A 30 11.322 9.808 -2.054 1.00 0.00 C ATOM 400 CE LYS A 30 12.515 8.862 -2.247 1.00 0.00 C ATOM 401 NZ LYS A 30 12.168 7.436 -2.084 1.00 0.00 N ATOM 0 H LYS A 30 6.781 8.539 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 30 8.485 9.592 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.616 8.868 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.704 7.704 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.807 9.610 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.789 10.729 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.694 10.828 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.827 9.562 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.932 9.015 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.295 9.122 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.023 6.897 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.465 7.334 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.772 7.071 -2.974 1.00 0.00 H new ATOM 415 N MET A 31 8.578 6.276 -4.806 1.00 0.00 N ATOM 416 CA MET A 31 8.923 5.102 -5.591 1.00 0.00 C ATOM 417 C MET A 31 8.042 5.031 -6.836 1.00 0.00 C ATOM 418 O MET A 31 8.538 4.684 -7.895 1.00 0.00 O ATOM 419 CB MET A 31 8.733 3.841 -4.753 1.00 0.00 C ATOM 420 CG MET A 31 9.421 3.872 -3.394 1.00 0.00 C ATOM 421 SD MET A 31 10.755 2.682 -3.130 1.00 0.00 S ATOM 422 CE MET A 31 9.874 1.628 -1.965 1.00 0.00 C ATOM 0 H MET A 31 8.188 6.056 -3.890 1.00 0.00 H new ATOM 0 HA MET A 31 9.967 5.175 -5.895 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.666 3.679 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.108 2.987 -5.316 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.823 4.873 -3.239 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.664 3.710 -2.626 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.501 0.777 -1.699 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.636 2.198 -1.067 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.952 1.271 -2.423 1.00 0.00 H new ATOM 432 N LEU A 32 6.757 5.393 -6.751 1.00 0.00 N ATOM 433 CA LEU A 32 5.836 5.332 -7.882 1.00 0.00 C ATOM 434 C LEU A 32 6.350 6.146 -9.078 1.00 0.00 C ATOM 435 O LEU A 32 6.166 5.741 -10.230 1.00 0.00 O ATOM 436 CB LEU A 32 4.447 5.821 -7.444 1.00 0.00 C ATOM 437 CG LEU A 32 3.359 5.440 -8.460 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.015 3.956 -8.375 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.073 6.209 -8.181 1.00 0.00 C ATOM 0 H LEU A 32 6.329 5.737 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 32 5.764 4.295 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.202 5.394 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.465 6.904 -7.321 1.00 0.00 H new ATOM 0 HG LEU A 32 3.755 5.681 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.242 3.719 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.906 3.363 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.651 3.724 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.314 5.926 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.718 5.973 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.266 7.279 -8.255 1.00 0.00 H new ATOM 451 N GLN A 33 6.994 7.288 -8.814 1.00 0.00 N ATOM 452 CA GLN A 33 7.704 8.069 -9.820 1.00 0.00 C ATOM 453 C GLN A 33 8.928 7.269 -10.279 1.00 0.00 C ATOM 454 O GLN A 33 9.032 6.927 -11.458 1.00 0.00 O ATOM 455 CB GLN A 33 8.112 9.443 -9.250 1.00 0.00 C ATOM 456 CG GLN A 33 6.929 10.321 -8.809 1.00 0.00 C ATOM 457 CD GLN A 33 6.336 11.150 -9.944 1.00 0.00 C ATOM 458 OE1 GLN A 33 6.644 12.332 -10.096 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.463 10.589 -10.759 1.00 0.00 N ATOM 0 H GLN A 33 7.034 7.697 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 33 7.055 8.257 -10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.772 9.288 -8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.687 9.980 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.150 9.685 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.259 10.990 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.206 9.610 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.045 11.135 -11.513 1.00 0.00 H new ATOM 468 N HIS A 34 9.831 6.986 -9.337 1.00 0.00 N ATOM 469 CA HIS A 34 11.125 6.358 -9.542 1.00 0.00 C ATOM 470 C HIS A 34 11.002 4.915 -10.048 1.00 0.00 C ATOM 471 O HIS A 34 11.104 4.680 -11.254 1.00 0.00 O ATOM 472 CB HIS A 34 11.907 6.446 -8.223 1.00 0.00 C ATOM 473 CG HIS A 34 12.402 7.843 -7.907 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.172 8.635 -8.728 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.131 8.570 -6.777 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.344 9.816 -8.109 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.751 9.818 -6.903 1.00 0.00 N ATOM 0 H HIS A 34 9.662 7.205 -8.355 1.00 0.00 H new ATOM 0 HA HIS A 34 11.666 6.886 -10.327 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.270 6.102 -7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 34 12.760 5.769 -8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.541 8.237 -5.936 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.887 10.652 -8.525 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.753 10.575 -6.219 1.00 0.00 H new ATOM 485 N GLU A 35 10.848 3.940 -9.152 1.00 0.00 N ATOM 486 CA GLU A 35 10.753 2.523 -9.461 1.00 0.00 C ATOM 487 C GLU A 35 9.441 1.950 -8.897 1.00 0.00 C ATOM 488 O GLU A 35 9.373 1.533 -7.738 1.00 0.00 O ATOM 489 CB GLU A 35 12.015 1.759 -9.034 1.00 0.00 C ATOM 490 CG GLU A 35 12.394 1.783 -7.540 1.00 0.00 C ATOM 491 CD GLU A 35 13.236 0.571 -7.146 1.00 0.00 C ATOM 492 OE1 GLU A 35 12.872 -0.567 -7.502 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.327 0.753 -6.554 1.00 0.00 O ATOM 0 H GLU A 35 10.784 4.129 -8.152 1.00 0.00 H new ATOM 0 HA GLU A 35 10.710 2.390 -10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.894 0.718 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.857 2.158 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.947 2.696 -7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.487 1.807 -6.936 1.00 0.00 H new ATOM 500 N PRO A 36 8.364 1.894 -9.696 1.00 0.00 N ATOM 501 CA PRO A 36 7.129 1.262 -9.274 1.00 0.00 C ATOM 502 C PRO A 36 7.284 -0.256 -9.111 1.00 0.00 C ATOM 503 O PRO A 36 6.392 -0.892 -8.556 1.00 0.00 O ATOM 504 CB PRO A 36 6.083 1.659 -10.310 1.00 0.00 C ATOM 505 CG PRO A 36 6.901 1.874 -11.575 1.00 0.00 C ATOM 506 CD PRO A 36 8.266 2.327 -11.075 1.00 0.00 C ATOM 0 HA PRO A 36 6.823 1.598 -8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.334 0.878 -10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.551 2.564 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.977 0.957 -12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.445 2.626 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.064 1.891 -11.676 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.367 3.410 -11.150 1.00 0.00 H new ATOM 514 N ASP A 37 8.440 -0.835 -9.462 1.00 0.00 N ATOM 515 CA ASP A 37 8.798 -2.195 -9.071 1.00 0.00 C ATOM 516 C ASP A 37 8.709 -2.344 -7.552 1.00 0.00 C ATOM 517 O ASP A 37 8.371 -3.429 -7.075 1.00 0.00 O ATOM 518 CB ASP A 37 10.232 -2.571 -9.459 1.00 0.00 C ATOM 519 CG ASP A 37 10.671 -2.208 -10.865 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.978 -1.014 -11.074 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.781 -3.114 -11.721 1.00 0.00 O ATOM 0 H ASP A 37 9.151 -0.369 -10.026 1.00 0.00 H new ATOM 0 HA ASP A 37 8.098 -2.847 -9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.912 -2.092 -8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.348 -3.647 -9.333 1.00 0.00 H new ATOM 526 N ARG A 38 9.010 -1.280 -6.779 1.00 0.00 N ATOM 527 CA ARG A 38 8.816 -1.285 -5.329 1.00 0.00 C ATOM 528 C ARG A 38 7.502 -0.628 -4.885 1.00 0.00 C ATOM 529 O ARG A 38 7.323 -0.439 -3.680 1.00 0.00 O ATOM 530 CB ARG A 38 10.028 -0.677 -4.594 1.00 0.00 C ATOM 531 CG ARG A 38 11.276 -1.561 -4.719 1.00 0.00 C ATOM 532 CD ARG A 38 12.460 -1.136 -3.837 1.00 0.00 C ATOM 533 NE ARG A 38 12.105 -1.155 -2.401 1.00 0.00 N ATOM 534 CZ ARG A 38 12.870 -0.834 -1.349 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.188 -0.757 -1.465 1.00 0.00 N ATOM 536 NH2 ARG A 38 12.301 -0.597 -0.171 1.00 0.00 N ATOM 0 H ARG A 38 9.390 -0.407 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 38 8.737 -2.334 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.241 0.311 -5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.783 -0.542 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.004 -2.586 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.599 -1.563 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.303 -1.804 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.783 -0.134 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 38 11.154 -1.451 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.633 -0.943 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.758 -0.511 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.288 -0.660 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.878 -0.352 0.634 1.00 0.00 H new ATOM 550 N ALA A 39 6.580 -0.252 -5.775 1.00 0.00 N ATOM 551 CA ALA A 39 5.373 0.496 -5.427 1.00 0.00 C ATOM 552 C ALA A 39 4.164 -0.072 -6.168 1.00 0.00 C ATOM 553 O ALA A 39 3.841 0.342 -7.280 1.00 0.00 O ATOM 554 CB ALA A 39 5.601 1.990 -5.697 1.00 0.00 C ATOM 0 H ALA A 39 6.653 -0.462 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 39 5.157 0.390 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.701 2.548 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.435 2.346 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.828 2.138 -6.753 1.00 0.00 H new ATOM 560 N PHE A 40 3.489 -1.032 -5.536 1.00 0.00 N ATOM 561 CA PHE A 40 2.390 -1.773 -6.140 1.00 0.00 C ATOM 562 C PHE A 40 1.068 -1.105 -5.794 1.00 0.00 C ATOM 563 O PHE A 40 0.841 -0.774 -4.628 1.00 0.00 O ATOM 564 CB PHE A 40 2.371 -3.190 -5.560 1.00 0.00 C ATOM 565 CG PHE A 40 3.163 -4.193 -6.361 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.253 -3.802 -7.158 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.784 -5.541 -6.312 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.932 -4.758 -7.915 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.465 -6.511 -7.067 1.00 0.00 C ATOM 570 CZ PHE A 40 4.545 -6.110 -7.870 1.00 0.00 C ATOM 0 H PHE A 40 3.695 -1.318 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 40 2.525 -1.797 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.764 -3.161 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.337 -3.530 -5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.563 -2.768 -7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.957 -5.839 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.760 -4.458 -8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.163 -7.547 -7.030 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.081 -6.842 -8.455 1.00 0.00 H new ATOM 580 N TYR A 41 0.156 -0.981 -6.756 1.00 0.00 N ATOM 581 CA TYR A 41 -1.213 -0.588 -6.467 1.00 0.00 C ATOM 582 C TYR A 41 -2.216 -1.373 -7.291 1.00 0.00 C ATOM 583 O TYR A 41 -1.878 -2.013 -8.283 1.00 0.00 O ATOM 584 CB TYR A 41 -1.406 0.913 -6.659 1.00 0.00 C ATOM 585 CG TYR A 41 -1.467 1.333 -8.109 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.288 1.568 -8.837 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.721 1.449 -8.735 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.367 1.933 -10.191 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.807 1.831 -10.081 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.625 2.064 -10.819 1.00 0.00 C ATOM 591 OH TYR A 41 -1.697 2.398 -12.133 1.00 0.00 O ATOM 0 H TYR A 41 0.346 -1.149 -7.744 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.399 -0.825 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.326 1.219 -6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.588 1.442 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.675 1.468 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.622 1.243 -8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.537 2.114 -10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.772 1.947 -10.552 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.637 2.445 -12.408 1.00 0.00 H new ATOM 601 N GLY A 42 -3.475 -1.304 -6.874 1.00 0.00 N ATOM 602 CA GLY A 42 -4.505 -2.145 -7.427 1.00 0.00 C ATOM 603 C GLY A 42 -4.434 -3.502 -6.750 1.00 0.00 C ATOM 604 O GLY A 42 -3.378 -4.134 -6.716 1.00 0.00 O ATOM 0 H GLY A 42 -3.799 -0.665 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.486 -1.695 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.370 -2.251 -8.503 1.00 0.00 H new ATOM 608 N LEU A 43 -5.574 -3.941 -6.212 1.00 0.00 N ATOM 609 CA LEU A 43 -5.766 -5.168 -5.446 1.00 0.00 C ATOM 610 C LEU A 43 -4.900 -6.320 -5.962 1.00 0.00 C ATOM 611 O LEU A 43 -4.142 -6.901 -5.196 1.00 0.00 O ATOM 612 CB LEU A 43 -7.266 -5.515 -5.475 1.00 0.00 C ATOM 613 CG LEU A 43 -7.636 -6.854 -4.806 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.365 -6.857 -3.301 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.125 -7.133 -5.039 1.00 0.00 C ATOM 0 H LEU A 43 -6.441 -3.413 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.443 -5.008 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.819 -4.715 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.598 -5.540 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.011 -7.626 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.644 -7.824 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.305 -6.676 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.952 -6.072 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.396 -8.079 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.718 -6.329 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.321 -7.191 -6.110 1.00 0.00 H new ATOM 627 N LYS A 44 -4.981 -6.632 -7.259 1.00 0.00 N ATOM 628 CA LYS A 44 -4.282 -7.752 -7.873 1.00 0.00 C ATOM 629 C LYS A 44 -2.776 -7.658 -7.669 1.00 0.00 C ATOM 630 O LYS A 44 -2.144 -8.649 -7.301 1.00 0.00 O ATOM 631 CB LYS A 44 -4.765 -7.898 -9.308 1.00 0.00 C ATOM 632 CG LYS A 44 -3.799 -7.549 -10.428 1.00 0.00 C ATOM 633 CD LYS A 44 -3.987 -6.123 -10.952 1.00 0.00 C ATOM 634 CE LYS A 44 -3.738 -6.153 -12.449 1.00 0.00 C ATOM 635 NZ LYS A 44 -3.770 -4.799 -13.029 1.00 0.00 N ATOM 0 H LYS A 44 -5.547 -6.099 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.527 -8.691 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.080 -8.932 -9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.652 -7.275 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.776 -7.667 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.932 -8.253 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.994 -5.765 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.294 -5.439 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.770 -6.613 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.492 -6.775 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.596 -4.856 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.702 -4.371 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.034 -4.214 -12.585 1.00 0.00 H new ATOM 649 N GLN A 45 -2.201 -6.482 -7.916 1.00 0.00 N ATOM 650 CA GLN A 45 -0.766 -6.295 -7.737 1.00 0.00 C ATOM 651 C GLN A 45 -0.425 -6.604 -6.280 1.00 0.00 C ATOM 652 O GLN A 45 0.393 -7.467 -5.993 1.00 0.00 O ATOM 653 CB GLN A 45 -0.281 -4.882 -8.088 1.00 0.00 C ATOM 654 CG GLN A 45 -0.395 -4.495 -9.566 1.00 0.00 C ATOM 655 CD GLN A 45 0.317 -3.174 -9.885 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.990 -2.571 -9.049 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.171 -2.707 -11.111 1.00 0.00 N ATOM 0 H GLN A 45 -2.702 -5.654 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.257 -6.970 -8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.850 -4.164 -7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.762 -4.789 -7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.029 -5.290 -10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.448 -4.411 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.391 -3.222 -11.789 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.620 -1.832 -11.380 1.00 0.00 H new ATOM 666 N VAL A 46 -1.049 -5.913 -5.337 1.00 0.00 N ATOM 667 CA VAL A 46 -0.870 -6.111 -3.908 1.00 0.00 C ATOM 668 C VAL A 46 -0.998 -7.599 -3.512 1.00 0.00 C ATOM 669 O VAL A 46 -0.154 -8.090 -2.764 1.00 0.00 O ATOM 670 CB VAL A 46 -1.852 -5.202 -3.149 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.504 -5.203 -1.664 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.825 -3.735 -3.616 1.00 0.00 C ATOM 0 H VAL A 46 -1.717 -5.173 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 46 0.144 -5.827 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.844 -5.607 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.200 -4.559 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.575 -6.219 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.488 -4.832 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.543 -3.155 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.825 -3.325 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.087 -3.685 -4.673 1.00 0.00 H new ATOM 682 N GLU A 47 -1.982 -8.342 -4.029 1.00 0.00 N ATOM 683 CA GLU A 47 -2.131 -9.777 -3.767 1.00 0.00 C ATOM 684 C GLU A 47 -0.890 -10.571 -4.218 1.00 0.00 C ATOM 685 O GLU A 47 -0.532 -11.567 -3.592 1.00 0.00 O ATOM 686 CB GLU A 47 -3.407 -10.318 -4.449 1.00 0.00 C ATOM 687 CG GLU A 47 -4.698 -9.926 -3.718 1.00 0.00 C ATOM 688 CD GLU A 47 -5.924 -10.669 -4.272 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.508 -10.245 -5.296 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.318 -11.698 -3.668 1.00 0.00 O ATOM 0 H GLU A 47 -2.701 -7.962 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.227 -9.910 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.450 -9.945 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.346 -11.405 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.593 -10.143 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.854 -8.851 -3.810 1.00 0.00 H new ATOM 697 N LYS A 48 -0.204 -10.130 -5.274 1.00 0.00 N ATOM 698 CA LYS A 48 1.036 -10.714 -5.790 1.00 0.00 C ATOM 699 C LYS A 48 2.220 -10.312 -4.915 1.00 0.00 C ATOM 700 O LYS A 48 3.056 -11.139 -4.573 1.00 0.00 O ATOM 701 CB LYS A 48 1.179 -10.257 -7.256 1.00 0.00 C ATOM 702 CG LYS A 48 2.563 -10.387 -7.892 1.00 0.00 C ATOM 703 CD LYS A 48 2.852 -11.812 -8.326 1.00 0.00 C ATOM 704 CE LYS A 48 3.602 -12.651 -7.290 1.00 0.00 C ATOM 705 NZ LYS A 48 3.535 -14.083 -7.636 1.00 0.00 N ATOM 0 H LYS A 48 -0.510 -9.322 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 48 1.011 -11.803 -5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.474 -10.829 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.875 -9.212 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.631 -9.724 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.322 -10.063 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.909 -12.305 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.436 -11.787 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.643 -12.332 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.171 -12.489 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.365 -14.573 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.669 -14.497 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.523 -14.190 -8.670 1.00 0.00 H new ATOM 719 N ALA A 49 2.317 -9.047 -4.532 1.00 0.00 N ATOM 720 CA ALA A 49 3.327 -8.612 -3.571 1.00 0.00 C ATOM 721 C ALA A 49 3.223 -9.360 -2.236 1.00 0.00 C ATOM 722 O ALA A 49 4.243 -9.578 -1.578 1.00 0.00 O ATOM 723 CB ALA A 49 3.215 -7.116 -3.329 1.00 0.00 C ATOM 0 H ALA A 49 1.709 -8.301 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 49 4.300 -8.844 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.974 -6.806 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.365 -6.583 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.226 -6.884 -2.934 1.00 0.00 H new ATOM 729 N ASN A 50 2.013 -9.743 -1.823 1.00 0.00 N ATOM 730 CA ASN A 50 1.804 -10.535 -0.620 1.00 0.00 C ATOM 731 C ASN A 50 2.420 -11.929 -0.780 1.00 0.00 C ATOM 732 O ASN A 50 3.109 -12.364 0.135 1.00 0.00 O ATOM 733 CB ASN A 50 0.312 -10.587 -0.278 1.00 0.00 C ATOM 734 CG ASN A 50 0.036 -11.456 0.939 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.013 -12.679 0.856 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.159 -10.841 2.091 1.00 0.00 N ATOM 0 H ASN A 50 1.152 -9.510 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 50 2.312 -10.061 0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.053 -9.577 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.243 -10.974 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.354 -11.384 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.114 -9.823 2.140 1.00 0.00 H new ATOM 743 N GLU A 51 2.273 -12.580 -1.941 1.00 0.00 N ATOM 744 CA GLU A 51 2.942 -13.853 -2.263 1.00 0.00 C ATOM 745 C GLU A 51 4.466 -13.734 -2.144 1.00 0.00 C ATOM 746 O GLU A 51 5.152 -14.679 -1.760 1.00 0.00 O ATOM 747 CB GLU A 51 2.625 -14.280 -3.709 1.00 0.00 C ATOM 748 CG GLU A 51 1.170 -14.658 -3.935 1.00 0.00 C ATOM 749 CD GLU A 51 0.886 -14.997 -5.409 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.114 -14.128 -6.291 1.00 0.00 O ATOM 751 OE2 GLU A 51 0.391 -16.095 -5.717 1.00 0.00 O ATOM 0 H GLU A 51 1.679 -12.235 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 51 2.571 -14.590 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.887 -13.465 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.256 -15.129 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.917 -15.515 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.528 -13.834 -3.622 1.00 0.00 H new ATOM 758 N ALA A 52 4.994 -12.566 -2.505 1.00 0.00 N ATOM 759 CA ALA A 52 6.422 -12.240 -2.451 1.00 0.00 C ATOM 760 C ALA A 52 6.895 -11.894 -1.040 1.00 0.00 C ATOM 761 O ALA A 52 8.069 -11.588 -0.869 1.00 0.00 O ATOM 762 CB ALA A 52 6.759 -11.095 -3.426 1.00 0.00 C ATOM 0 H ALA A 52 4.424 -11.795 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 52 6.958 -13.138 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.824 -10.870 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.506 -11.396 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.186 -10.208 -3.157 1.00 0.00 H new ATOM 768 N MET A 53 5.995 -11.865 -0.052 1.00 0.00 N ATOM 769 CA MET A 53 6.214 -11.376 1.310 1.00 0.00 C ATOM 770 C MET A 53 6.816 -9.962 1.355 1.00 0.00 C ATOM 771 O MET A 53 7.322 -9.517 2.385 1.00 0.00 O ATOM 772 CB MET A 53 7.066 -12.367 2.128 1.00 0.00 C ATOM 773 CG MET A 53 6.563 -13.809 2.077 1.00 0.00 C ATOM 774 SD MET A 53 5.082 -14.022 3.073 1.00 0.00 S ATOM 775 CE MET A 53 4.080 -15.073 1.998 1.00 0.00 C ATOM 0 H MET A 53 5.042 -12.201 -0.190 1.00 0.00 H new ATOM 0 HA MET A 53 5.228 -11.305 1.770 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.092 -12.338 1.760 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.090 -12.038 3.167 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.352 -14.086 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.343 -14.481 2.434 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.084 -15.187 2.426 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.001 -14.615 1.012 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.550 -16.052 1.906 1.00 0.00 H new ATOM 785 N ALA A 54 6.784 -9.240 0.235 1.00 0.00 N ATOM 786 CA ALA A 54 7.604 -8.063 0.004 1.00 0.00 C ATOM 787 C ALA A 54 7.007 -6.813 0.623 1.00 0.00 C ATOM 788 O ALA A 54 7.621 -5.761 0.503 1.00 0.00 O ATOM 789 CB ALA A 54 7.735 -7.862 -1.512 1.00 0.00 C ATOM 0 H ALA A 54 6.173 -9.466 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 54 8.575 -8.224 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.347 -6.983 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.205 -8.739 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.746 -7.721 -1.947 1.00 0.00 H new ATOM 795 N ILE A 55 5.808 -6.892 1.193 1.00 0.00 N ATOM 796 CA ILE A 55 5.035 -5.739 1.611 1.00 0.00 C ATOM 797 C ILE A 55 5.627 -5.202 2.911 1.00 0.00 C ATOM 798 O ILE A 55 5.499 -5.808 3.972 1.00 0.00 O ATOM 799 CB ILE A 55 3.536 -6.103 1.649 1.00 0.00 C ATOM 800 CG1 ILE A 55 3.079 -6.243 0.184 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.714 -5.053 2.416 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.635 -6.688 -0.029 1.00 0.00 C ATOM 0 H ILE A 55 5.342 -7.780 1.379 1.00 0.00 H new ATOM 0 HA ILE A 55 5.096 -4.916 0.899 1.00 0.00 H new ATOM 0 HB ILE A 55 3.377 -7.037 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.219 -5.283 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.735 -6.957 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.664 -5.345 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.076 -4.986 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.819 -4.083 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.428 -6.751 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.484 -7.666 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.960 -5.965 0.429 1.00 0.00 H new ATOM 814 N ASP A 56 6.269 -4.043 2.789 1.00 0.00 N ATOM 815 CA ASP A 56 6.715 -3.222 3.912 1.00 0.00 C ATOM 816 C ASP A 56 5.477 -2.665 4.604 1.00 0.00 C ATOM 817 O ASP A 56 5.204 -2.975 5.763 1.00 0.00 O ATOM 818 CB ASP A 56 7.617 -2.070 3.432 1.00 0.00 C ATOM 819 CG ASP A 56 7.732 -0.975 4.495 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.259 -1.222 5.604 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.171 0.123 4.285 1.00 0.00 O ATOM 0 H ASP A 56 6.500 -3.638 1.882 1.00 0.00 H new ATOM 0 HA ASP A 56 7.301 -3.830 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.609 -2.456 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.212 -1.647 2.513 1.00 0.00 H new ATOM 826 N THR A 57 4.703 -1.860 3.876 1.00 0.00 N ATOM 827 CA THR A 57 3.556 -1.142 4.393 1.00 0.00 C ATOM 828 C THR A 57 2.449 -1.218 3.349 1.00 0.00 C ATOM 829 O THR A 57 2.694 -0.987 2.171 1.00 0.00 O ATOM 830 CB THR A 57 3.953 0.314 4.694 1.00 0.00 C ATOM 831 OG1 THR A 57 5.031 0.392 5.605 1.00 0.00 O ATOM 832 CG2 THR A 57 2.796 1.066 5.336 1.00 0.00 C ATOM 0 H THR A 57 4.868 -1.690 2.884 1.00 0.00 H new ATOM 0 HA THR A 57 3.200 -1.583 5.324 1.00 0.00 H new ATOM 0 HB THR A 57 4.234 0.751 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.845 0.656 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.098 2.093 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.942 1.067 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.518 0.577 6.270 1.00 0.00 H new ATOM 840 N LEU A 58 1.230 -1.530 3.776 1.00 0.00 N ATOM 841 CA LEU A 58 0.053 -1.731 2.947 1.00 0.00 C ATOM 842 C LEU A 58 -0.914 -0.580 3.190 1.00 0.00 C ATOM 843 O LEU A 58 -1.302 -0.340 4.332 1.00 0.00 O ATOM 844 CB LEU A 58 -0.560 -3.063 3.374 1.00 0.00 C ATOM 845 CG LEU A 58 -1.915 -3.384 2.736 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.721 -4.060 1.378 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.738 -4.274 3.656 1.00 0.00 C ATOM 0 H LEU A 58 1.028 -1.656 4.768 1.00 0.00 H new ATOM 0 HA LEU A 58 0.292 -1.754 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.139 -3.863 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.676 -3.062 4.458 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.454 -2.449 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.694 -4.281 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.167 -3.394 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.163 -4.987 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.698 -4.493 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.202 -5.206 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.905 -3.762 4.604 1.00 0.00 H new ATOM 859 N LEU A 59 -1.303 0.119 2.124 1.00 0.00 N ATOM 860 CA LEU A 59 -2.198 1.266 2.144 1.00 0.00 C ATOM 861 C LEU A 59 -3.582 0.788 1.695 1.00 0.00 C ATOM 862 O LEU A 59 -3.684 0.032 0.725 1.00 0.00 O ATOM 863 CB LEU A 59 -1.695 2.418 1.231 1.00 0.00 C ATOM 864 CG LEU A 59 -0.197 2.520 0.865 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.091 3.807 0.074 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.795 2.514 2.032 1.00 0.00 C ATOM 0 H LEU A 59 -0.986 -0.113 1.183 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.238 1.672 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.253 2.357 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.976 3.356 1.710 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.037 1.608 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.152 3.854 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.494 3.807 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.181 4.673 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.811 2.590 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.591 3.361 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.689 1.586 2.595 1.00 0.00 H new ATOM 878 N ILE A 60 -4.654 1.230 2.351 1.00 0.00 N ATOM 879 CA ILE A 60 -6.010 1.050 1.845 1.00 0.00 C ATOM 880 C ILE A 60 -6.868 2.194 2.383 1.00 0.00 C ATOM 881 O ILE A 60 -6.732 2.555 3.558 1.00 0.00 O ATOM 882 CB ILE A 60 -6.541 -0.339 2.268 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.765 -0.686 1.412 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.840 -0.482 3.771 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.259 -2.110 1.635 1.00 0.00 C ATOM 0 H ILE A 60 -4.606 1.721 3.244 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.038 1.079 0.756 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.739 -1.055 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.571 0.012 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.515 -0.554 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.207 -1.488 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.928 -0.306 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.597 0.247 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.127 -2.297 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.466 -2.814 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.538 -2.239 2.681 1.00 0.00 H new ATOM 897 N SER A 61 -7.761 2.746 1.562 1.00 0.00 N ATOM 898 CA SER A 61 -8.807 3.627 2.055 1.00 0.00 C ATOM 899 C SER A 61 -9.781 2.813 2.896 1.00 0.00 C ATOM 900 O SER A 61 -10.189 1.716 2.503 1.00 0.00 O ATOM 901 CB SER A 61 -9.471 4.377 0.896 1.00 0.00 C ATOM 902 OG SER A 61 -9.242 5.758 1.113 1.00 0.00 O ATOM 0 H SER A 61 -7.777 2.596 0.553 1.00 0.00 H new ATOM 0 HA SER A 61 -8.388 4.399 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.051 4.062 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.539 4.164 0.860 1.00 0.00 H new ATOM 0 HG SER A 61 -9.652 6.275 0.388 1.00 0.00 H new ATOM 908 N ASP A 62 -10.155 3.333 4.068 1.00 0.00 N ATOM 909 CA ASP A 62 -11.094 2.655 4.949 1.00 0.00 C ATOM 910 C ASP A 62 -12.405 2.403 4.219 1.00 0.00 C ATOM 911 O ASP A 62 -12.979 1.340 4.411 1.00 0.00 O ATOM 912 CB ASP A 62 -11.352 3.393 6.268 1.00 0.00 C ATOM 913 CG ASP A 62 -12.486 4.408 6.159 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.312 5.423 5.452 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.548 4.183 6.781 1.00 0.00 O ATOM 0 H ASP A 62 -9.817 4.226 4.425 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.628 1.708 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.592 2.668 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.441 3.904 6.579 1.00 0.00 H new ATOM 920 N GLU A 63 -12.847 3.292 3.323 1.00 0.00 N ATOM 921 CA GLU A 63 -14.070 3.025 2.574 1.00 0.00 C ATOM 922 C GLU A 63 -14.007 1.724 1.753 1.00 0.00 C ATOM 923 O GLU A 63 -15.053 1.127 1.506 1.00 0.00 O ATOM 924 CB GLU A 63 -14.420 4.219 1.678 1.00 0.00 C ATOM 925 CG GLU A 63 -13.294 4.651 0.729 1.00 0.00 C ATOM 926 CD GLU A 63 -13.742 5.623 -0.371 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.952 5.880 -0.559 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.843 6.119 -1.091 1.00 0.00 O ATOM 0 H GLU A 63 -12.389 4.177 3.106 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.862 2.883 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.301 3.968 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.691 5.065 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.501 5.119 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.865 3.764 0.263 1.00 0.00 H new ATOM 935 N LEU A 64 -12.818 1.247 1.362 1.00 0.00 N ATOM 936 CA LEU A 64 -12.649 -0.049 0.707 1.00 0.00 C ATOM 937 C LEU A 64 -12.524 -1.153 1.743 1.00 0.00 C ATOM 938 O LEU A 64 -13.056 -2.244 1.533 1.00 0.00 O ATOM 939 CB LEU A 64 -11.397 -0.081 -0.173 1.00 0.00 C ATOM 940 CG LEU A 64 -11.348 0.996 -1.261 1.00 0.00 C ATOM 941 CD1 LEU A 64 -10.068 0.788 -2.061 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.558 0.941 -2.199 1.00 0.00 C ATOM 0 H LEU A 64 -11.944 1.755 1.494 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.530 -0.205 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.519 0.026 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.329 -1.060 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.368 1.976 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.003 1.541 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.207 0.878 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.077 -0.205 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.472 1.726 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.593 -0.031 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.472 1.089 -1.623 1.00 0.00 H new ATOM 954 N PHE A 65 -11.853 -0.882 2.868 1.00 0.00 N ATOM 955 CA PHE A 65 -11.806 -1.755 4.039 1.00 0.00 C ATOM 956 C PHE A 65 -13.209 -2.081 4.583 1.00 0.00 C ATOM 957 O PHE A 65 -13.387 -3.049 5.329 1.00 0.00 O ATOM 958 CB PHE A 65 -10.974 -1.072 5.128 1.00 0.00 C ATOM 959 CG PHE A 65 -10.588 -1.924 6.313 1.00 0.00 C ATOM 960 CD1 PHE A 65 -10.002 -3.191 6.134 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.817 -1.429 7.611 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.703 -3.991 7.252 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.485 -2.217 8.724 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.947 -3.504 8.548 1.00 0.00 C ATOM 0 H PHE A 65 -11.314 -0.025 2.989 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.352 -2.700 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.061 -0.689 4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.532 -0.211 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.782 -3.549 5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.246 -0.448 7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.287 -4.978 7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.644 -1.833 9.721 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.721 -4.118 9.408 1.00 0.00 H new ATOM 974 N ARG A 66 -14.226 -1.286 4.247 1.00 0.00 N ATOM 975 CA ARG A 66 -15.609 -1.507 4.619 1.00 0.00 C ATOM 976 C ARG A 66 -16.500 -1.233 3.401 1.00 0.00 C ATOM 977 O ARG A 66 -17.484 -0.498 3.481 1.00 0.00 O ATOM 978 CB ARG A 66 -15.946 -0.751 5.922 1.00 0.00 C ATOM 979 CG ARG A 66 -14.915 0.249 6.475 1.00 0.00 C ATOM 980 CD ARG A 66 -15.394 0.810 7.807 1.00 0.00 C ATOM 981 NE ARG A 66 -14.741 2.077 8.153 1.00 0.00 N ATOM 982 CZ ARG A 66 -14.868 2.730 9.308 1.00 0.00 C ATOM 983 NH1 ARG A 66 -15.335 2.131 10.403 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.513 4.004 9.357 1.00 0.00 N ATOM 0 H ARG A 66 -14.096 -0.443 3.688 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.806 -2.547 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.879 -0.211 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.137 -1.493 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.952 -0.244 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.765 1.060 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.473 0.961 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.203 0.080 8.594 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.136 2.496 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.606 1.148 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.422 2.655 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.151 4.465 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.601 4.525 10.230 1.00 0.00 H new ATOM 998 N HIS A 67 -16.131 -1.838 2.268 1.00 0.00 N ATOM 999 CA HIS A 67 -16.926 -1.828 1.044 1.00 0.00 C ATOM 1000 C HIS A 67 -18.270 -2.518 1.298 1.00 0.00 C ATOM 1001 O HIS A 67 -18.351 -3.412 2.145 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.140 -2.548 -0.060 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.659 -2.286 -1.446 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.788 -2.867 -2.024 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.072 -1.454 -2.349 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.871 -2.348 -3.260 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.852 -1.500 -3.480 1.00 0.00 N ATOM 0 H HIS A 67 -15.257 -2.356 2.178 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.125 -0.804 0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.096 -2.240 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.165 -3.621 0.130 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.173 -0.873 -2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.646 -2.579 -3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.685 -0.979 -4.341 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.315 -2.131 0.565 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.648 -2.708 0.706 1.00 0.00 C ATOM 1017 C GLN A 68 -20.712 -4.156 0.215 1.00 0.00 C ATOM 1018 O GLN A 68 -21.354 -4.988 0.860 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.683 -1.817 -0.005 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.518 -1.650 -1.532 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.254 -2.677 -2.401 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.999 -3.538 -1.936 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.098 -2.584 -3.710 1.00 0.00 N ATOM 0 H GLN A 68 -19.257 -1.403 -0.147 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.889 -2.742 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.675 -2.226 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.652 -0.828 0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.864 -0.654 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.455 -1.696 -1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.481 -1.872 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.594 -3.225 -4.330 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.085 -4.449 -0.926 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.174 -5.744 -1.586 1.00 0.00 C ATOM 1034 C ASP A 69 -19.300 -6.724 -0.825 1.00 0.00 C ATOM 1035 O ASP A 69 -18.094 -6.508 -0.710 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.719 -5.657 -3.045 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.571 -7.052 -3.649 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.589 -7.767 -3.782 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.444 -7.426 -4.039 1.00 0.00 O ATOM 0 H ASP A 69 -19.494 -3.781 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.212 -6.078 -1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.441 -5.080 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.768 -5.127 -3.104 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.894 -7.786 -0.288 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.226 -8.720 0.600 1.00 0.00 C ATOM 1046 C VAL A 70 -17.972 -9.287 -0.059 1.00 0.00 C ATOM 1047 O VAL A 70 -16.927 -9.238 0.577 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.222 -9.793 1.080 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.537 -10.925 1.855 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.260 -9.141 2.003 1.00 0.00 C ATOM 0 H VAL A 70 -20.871 -8.022 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.878 -8.202 1.494 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.687 -10.221 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.284 -11.654 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.802 -11.412 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.037 -10.515 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.967 -9.896 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.756 -8.699 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.795 -8.364 1.457 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.026 -9.784 -1.298 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.867 -10.371 -1.970 1.00 0.00 C ATOM 1062 C ALA A 71 -15.724 -9.353 -2.082 1.00 0.00 C ATOM 1063 O ALA A 71 -14.607 -9.620 -1.636 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.285 -10.907 -3.341 1.00 0.00 C ATOM 0 H ALA A 71 -18.876 -9.790 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.493 -11.204 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.420 -11.344 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.054 -11.669 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.679 -10.091 -3.946 1.00 0.00 H new ATOM 1070 N THR A 72 -16.013 -8.167 -2.620 1.00 0.00 N ATOM 1071 CA THR A 72 -15.084 -7.043 -2.710 1.00 0.00 C ATOM 1072 C THR A 72 -14.487 -6.723 -1.344 1.00 0.00 C ATOM 1073 O THR A 72 -13.262 -6.695 -1.207 1.00 0.00 O ATOM 1074 CB THR A 72 -15.830 -5.847 -3.319 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.275 -6.202 -4.612 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.984 -4.589 -3.429 1.00 0.00 C ATOM 0 H THR A 72 -16.929 -7.957 -3.017 1.00 0.00 H new ATOM 0 HA THR A 72 -14.243 -7.296 -3.356 1.00 0.00 H new ATOM 0 HB THR A 72 -16.657 -5.617 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.224 -6.442 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.579 -3.788 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.647 -4.289 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.119 -4.787 -4.061 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.325 -6.518 -0.324 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.855 -6.236 1.019 1.00 0.00 C ATOM 1086 C ARG A 73 -13.918 -7.352 1.473 1.00 0.00 C ATOM 1087 O ARG A 73 -12.792 -7.062 1.868 1.00 0.00 O ATOM 1088 CB ARG A 73 -16.046 -6.039 1.971 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.547 -5.386 3.260 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.595 -5.337 4.357 1.00 0.00 C ATOM 1091 NE ARG A 73 -16.002 -4.933 5.641 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.614 -5.038 6.824 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.853 -5.508 6.911 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.978 -4.679 7.925 1.00 0.00 N ATOM 0 H ARG A 73 -16.341 -6.544 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.289 -5.305 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.805 -5.413 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.515 -6.998 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.677 -5.934 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.215 -4.371 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.382 -4.636 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.062 -6.316 4.461 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.058 -4.546 5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.350 -5.795 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.307 -5.582 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.024 -4.323 7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.441 -4.757 8.830 1.00 0.00 H new ATOM 1108 N SER A 74 -14.364 -8.604 1.383 1.00 0.00 N ATOM 1109 CA SER A 74 -13.653 -9.801 1.797 1.00 0.00 C ATOM 1110 C SER A 74 -12.217 -9.771 1.294 1.00 0.00 C ATOM 1111 O SER A 74 -11.306 -9.926 2.092 1.00 0.00 O ATOM 1112 CB SER A 74 -14.383 -11.049 1.281 1.00 0.00 C ATOM 1113 OG SER A 74 -14.180 -12.168 2.119 1.00 0.00 O ATOM 0 H SER A 74 -15.284 -8.816 0.997 1.00 0.00 H new ATOM 0 HA SER A 74 -13.628 -9.836 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.450 -10.840 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.035 -11.282 0.275 1.00 0.00 H new ATOM 0 HG SER A 74 -14.662 -12.940 1.756 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.010 -9.514 0.002 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.689 -9.490 -0.625 1.00 0.00 C ATOM 1121 C ARG A 75 -9.776 -8.542 0.124 1.00 0.00 C ATOM 1122 O ARG A 75 -8.722 -8.951 0.600 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.823 -9.032 -2.087 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.454 -10.070 -3.018 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.197 -9.343 -4.139 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.772 -10.307 -5.078 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.939 -10.188 -5.715 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -14.486 -9.006 -5.966 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -14.582 -11.278 -6.085 1.00 0.00 N ATOM 0 H ARG A 75 -12.769 -9.313 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.261 -10.492 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.423 -8.122 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.834 -8.774 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.684 -10.719 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.141 -10.707 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.987 -8.721 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.513 -8.677 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.229 -11.150 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.013 -8.152 -5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.379 -8.951 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.187 -12.196 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.475 -11.203 -6.573 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.186 -7.282 0.237 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.423 -6.281 0.944 1.00 0.00 C ATOM 1145 C TYR A 76 -9.131 -6.693 2.388 1.00 0.00 C ATOM 1146 O TYR A 76 -7.973 -6.623 2.787 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.195 -4.973 0.897 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.391 -4.365 -0.475 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.295 -4.149 -1.327 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.687 -4.031 -0.907 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.494 -3.619 -2.612 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.884 -3.498 -2.190 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.789 -3.278 -3.053 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.971 -2.752 -4.299 1.00 0.00 O ATOM 0 H TYR A 76 -11.058 -6.935 -0.162 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.454 -6.164 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.176 -5.137 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.678 -4.246 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.297 -4.391 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.531 -4.185 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.649 -3.471 -3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.883 -3.254 -2.520 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.924 -2.575 -4.443 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.131 -7.093 3.188 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.882 -7.403 4.605 1.00 0.00 C ATOM 1166 C VAL A 77 -8.983 -8.636 4.743 1.00 0.00 C ATOM 1167 O VAL A 77 -8.098 -8.662 5.599 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.170 -7.528 5.455 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.157 -6.395 5.164 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.946 -8.841 5.288 1.00 0.00 C ATOM 0 H VAL A 77 -11.099 -7.208 2.888 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.354 -6.543 5.017 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.787 -7.486 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.047 -6.520 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.689 -5.437 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.439 -6.419 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.829 -8.825 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.252 -8.953 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.309 -9.679 5.571 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.183 -9.641 3.884 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.383 -10.852 3.839 1.00 0.00 C ATOM 1182 C ARG A 78 -6.943 -10.482 3.551 1.00 0.00 C ATOM 1183 O ARG A 78 -6.056 -10.869 4.307 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.954 -11.840 2.807 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.111 -12.634 3.440 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.300 -13.989 2.767 1.00 0.00 C ATOM 1187 NE ARG A 78 -11.153 -14.858 3.601 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.751 -15.939 4.286 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.567 -16.496 4.068 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.549 -16.465 5.206 1.00 0.00 N ATOM 0 H ARG A 78 -9.927 -9.626 3.186 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.416 -11.359 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.307 -11.300 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.173 -12.522 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.914 -12.780 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.033 -12.058 3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.754 -13.855 1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.331 -14.463 2.608 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.141 -14.614 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.940 -16.103 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.284 -17.318 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.462 -16.047 5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.250 -17.287 5.731 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.707 -9.713 2.490 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.389 -9.250 2.101 1.00 0.00 C ATOM 1206 C LEU A 79 -4.742 -8.428 3.213 1.00 0.00 C ATOM 1207 O LEU A 79 -3.568 -8.633 3.503 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.519 -8.453 0.799 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.172 -7.954 0.253 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.138 -9.069 0.041 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.459 -7.282 -1.085 1.00 0.00 C ATOM 0 H LEU A 79 -7.448 -9.391 1.867 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.732 -10.103 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.999 -9.077 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.173 -7.598 0.969 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.737 -7.276 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.214 -8.639 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.938 -9.565 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.527 -9.795 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.528 -6.910 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.908 -8.005 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.147 -6.450 -0.934 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.491 -7.520 3.841 1.00 0.00 N ATOM 1224 CA VAL A 80 -5.038 -6.726 4.980 1.00 0.00 C ATOM 1225 C VAL A 80 -4.493 -7.642 6.077 1.00 0.00 C ATOM 1226 O VAL A 80 -3.343 -7.487 6.491 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.161 -5.778 5.458 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.950 -5.259 6.886 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.300 -4.601 4.480 1.00 0.00 C ATOM 0 H VAL A 80 -6.451 -7.313 3.564 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.211 -6.083 4.680 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.081 -6.362 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.774 -4.599 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.915 -6.101 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.011 -4.708 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.093 -3.936 4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.360 -4.052 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.546 -4.979 3.488 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.302 -8.584 6.569 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.885 -9.442 7.679 1.00 0.00 C ATOM 1241 C ASP A 81 -3.734 -10.346 7.229 1.00 0.00 C ATOM 1242 O ASP A 81 -2.796 -10.575 7.982 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.067 -10.267 8.224 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.219 -10.182 9.757 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.225 -9.961 10.494 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.375 -10.247 10.244 1.00 0.00 O ATOM 0 H ASP A 81 -6.242 -8.770 6.219 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.534 -8.811 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.988 -9.921 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.935 -11.310 7.937 1.00 0.00 H new ATOM 1251 N SER A 82 -3.739 -10.783 5.968 1.00 0.00 N ATOM 1252 CA SER A 82 -2.692 -11.608 5.382 1.00 0.00 C ATOM 1253 C SER A 82 -1.369 -10.847 5.193 1.00 0.00 C ATOM 1254 O SER A 82 -0.333 -11.480 5.002 1.00 0.00 O ATOM 1255 CB SER A 82 -3.178 -12.163 4.042 1.00 0.00 C ATOM 1256 OG SER A 82 -4.347 -12.950 4.194 1.00 0.00 O ATOM 0 H SER A 82 -4.491 -10.565 5.314 1.00 0.00 H new ATOM 0 HA SER A 82 -2.486 -12.422 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.381 -11.338 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.390 -12.765 3.590 1.00 0.00 H new ATOM 0 HG SER A 82 -5.108 -12.369 4.403 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.350 -9.512 5.230 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.105 -8.751 5.311 1.00 0.00 C ATOM 1264 C VAL A 83 0.391 -8.756 6.753 1.00 0.00 C ATOM 1265 O VAL A 83 1.597 -8.878 6.957 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.309 -7.332 4.748 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.812 -6.359 5.143 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.361 -7.409 3.213 1.00 0.00 C ATOM 0 H VAL A 83 -2.190 -8.934 5.205 1.00 0.00 H new ATOM 0 HA VAL A 83 0.666 -9.216 4.697 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.240 -6.952 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.609 -5.377 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.858 -6.279 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.765 -6.729 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.505 -6.409 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.575 -7.824 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.189 -8.049 2.909 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.497 -8.671 7.752 1.00 0.00 N ATOM 1279 CA LYS A 84 -0.083 -8.815 9.146 1.00 0.00 C ATOM 1280 C LYS A 84 0.499 -10.211 9.347 1.00 0.00 C ATOM 1281 O LYS A 84 1.533 -10.344 9.997 1.00 0.00 O ATOM 1282 CB LYS A 84 -1.241 -8.550 10.120 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.868 -7.162 9.931 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.953 -6.899 10.979 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.685 -5.594 10.645 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.821 -5.336 11.552 1.00 0.00 N ATOM 0 H LYS A 84 -1.495 -8.505 7.620 1.00 0.00 H new ATOM 0 HA LYS A 84 0.679 -8.067 9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.008 -9.312 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.878 -8.644 11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.095 -6.397 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.297 -7.087 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.660 -7.729 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.506 -6.834 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.983 -4.762 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.047 -5.637 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.283 -4.443 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.506 -6.115 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.475 -5.268 12.531 1.00 0.00 H new ATOM 1300 N GLU A 85 -0.087 -11.239 8.734 1.00 0.00 N ATOM 1301 CA GLU A 85 0.461 -12.592 8.738 1.00 0.00 C ATOM 1302 C GLU A 85 1.883 -12.618 8.164 1.00 0.00 C ATOM 1303 O GLU A 85 2.733 -13.347 8.674 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.443 -13.537 7.948 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.805 -13.773 8.612 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.732 -14.844 9.696 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.542 -16.026 9.334 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.838 -14.512 10.905 1.00 0.00 O ATOM 0 H GLU A 85 -0.962 -11.154 8.217 1.00 0.00 H new ATOM 0 HA GLU A 85 0.507 -12.929 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.600 -13.128 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.064 -14.494 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.163 -12.840 9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.531 -14.071 7.855 1.00 0.00 H new ATOM 1315 N ASN A 86 2.173 -11.797 7.151 1.00 0.00 N ATOM 1316 CA ASN A 86 3.499 -11.659 6.536 1.00 0.00 C ATOM 1317 C ASN A 86 4.365 -10.615 7.259 1.00 0.00 C ATOM 1318 O ASN A 86 5.398 -10.208 6.731 1.00 0.00 O ATOM 1319 CB ASN A 86 3.370 -11.373 5.025 1.00 0.00 C ATOM 1320 CG ASN A 86 2.589 -12.448 4.267 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.167 -13.472 4.805 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.402 -12.266 2.976 1.00 0.00 N ATOM 0 H ASN A 86 1.472 -11.192 6.723 1.00 0.00 H new ATOM 0 HA ASN A 86 4.021 -12.609 6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.877 -10.411 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.367 -11.286 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.910 -12.971 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.749 -11.420 2.525 1.00 0.00 H new ATOM 1329 N ALA A 87 3.961 -10.181 8.459 1.00 0.00 N ATOM 1330 CA ALA A 87 4.602 -9.185 9.316 1.00 0.00 C ATOM 1331 C ALA A 87 4.802 -7.811 8.658 1.00 0.00 C ATOM 1332 O ALA A 87 5.584 -7.002 9.171 1.00 0.00 O ATOM 1333 CB ALA A 87 5.884 -9.749 9.947 1.00 0.00 C ATOM 0 H ALA A 87 3.111 -10.548 8.886 1.00 0.00 H new ATOM 0 HA ALA A 87 3.899 -8.979 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.343 -8.989 10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.639 -10.624 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.582 -10.035 9.160 1.00 0.00 H new ATOM 1339 N GLY A 88 4.078 -7.490 7.586 1.00 0.00 N ATOM 1340 CA GLY A 88 4.040 -6.140 7.040 1.00 0.00 C ATOM 1341 C GLY A 88 3.238 -5.203 7.950 1.00 0.00 C ATOM 1342 O GLY A 88 2.571 -5.637 8.896 1.00 0.00 O ATOM 0 H GLY A 88 3.503 -8.160 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.056 -5.761 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.593 -6.158 6.046 1.00 0.00 H new ATOM 1346 N THR A 89 3.304 -3.907 7.666 1.00 0.00 N ATOM 1347 CA THR A 89 2.542 -2.859 8.333 1.00 0.00 C ATOM 1348 C THR A 89 1.252 -2.612 7.544 1.00 0.00 C ATOM 1349 O THR A 89 1.210 -2.794 6.324 1.00 0.00 O ATOM 1350 CB THR A 89 3.440 -1.610 8.404 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.578 -1.922 9.177 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.796 -0.362 9.016 1.00 0.00 C ATOM 0 H THR A 89 3.915 -3.544 6.935 1.00 0.00 H new ATOM 0 HA THR A 89 2.253 -3.136 9.347 1.00 0.00 H new ATOM 0 HB THR A 89 3.666 -1.360 7.368 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.162 -1.137 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.516 0.456 9.016 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.924 -0.077 8.428 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.489 -0.576 10.040 1.00 0.00 H new ATOM 1360 N VAL A 90 0.203 -2.134 8.212 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.087 -1.796 7.625 1.00 0.00 C ATOM 1362 C VAL A 90 -1.372 -0.326 7.941 1.00 0.00 C ATOM 1363 O VAL A 90 -1.052 0.165 9.027 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.151 -2.772 8.174 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.578 -2.376 7.777 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -1.877 -4.207 7.689 1.00 0.00 C ATOM 0 H VAL A 90 0.233 -1.966 9.218 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.099 -1.905 6.541 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.076 -2.723 9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.284 -3.097 8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.802 -1.384 8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.664 -2.366 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.638 -4.877 8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.904 -4.234 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.894 -4.527 8.036 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.968 0.389 6.984 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.224 1.824 7.033 1.00 0.00 C ATOM 1378 C ARG A 91 -3.653 2.063 6.569 1.00 0.00 C ATOM 1379 O ARG A 91 -4.012 1.642 5.468 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.212 2.546 6.128 1.00 0.00 C ATOM 1381 CG ARG A 91 0.218 2.547 6.679 1.00 0.00 C ATOM 1382 CD ARG A 91 0.385 3.603 7.765 1.00 0.00 C ATOM 1383 NE ARG A 91 1.701 3.570 8.409 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.042 2.954 9.545 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.155 2.271 10.268 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.304 3.050 9.938 1.00 0.00 N ATOM 0 H ARG A 91 -2.298 -0.038 6.118 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.109 2.214 8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.213 2.072 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.537 3.576 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.456 1.563 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.923 2.738 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.226 4.590 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.386 3.460 8.522 1.00 0.00 H new ATOM 0 HE ARG A 91 2.446 4.078 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.185 2.208 9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.446 1.811 11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.973 3.579 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.606 2.595 10.799 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.472 2.694 7.411 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.906 2.850 7.193 1.00 0.00 C ATOM 1402 C ILE A 92 -6.167 4.309 6.839 1.00 0.00 C ATOM 1403 O ILE A 92 -6.158 5.182 7.715 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.734 2.402 8.422 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.325 1.040 9.026 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.228 2.404 8.051 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.448 -0.137 8.067 1.00 0.00 C ATOM 0 H ILE A 92 -4.148 3.119 8.280 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.225 2.204 6.375 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.525 3.125 9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.293 1.105 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.943 0.845 9.902 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.817 2.089 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.528 3.409 7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.398 1.715 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.141 -1.052 8.573 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.483 -0.233 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.808 0.031 7.201 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.438 4.573 5.566 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.553 5.918 5.026 1.00 0.00 C ATOM 1421 C PHE A 93 -8.002 6.358 5.192 1.00 0.00 C ATOM 1422 O PHE A 93 -8.901 5.535 5.369 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.151 5.903 3.542 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.670 5.995 3.259 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.773 4.999 3.694 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.200 7.053 2.468 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.403 5.105 3.388 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.839 7.149 2.167 1.00 0.00 C ATOM 1429 CZ PHE A 93 -1.932 6.189 2.628 1.00 0.00 C ATOM 0 H PHE A 93 -6.586 3.843 4.869 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.896 6.613 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.531 4.986 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.649 6.734 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.136 4.155 4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.890 7.794 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.713 4.352 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.482 7.976 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.880 6.280 2.402 1.00 0.00 H new ATOM 1439 N SER A 94 -8.216 7.668 5.242 1.00 0.00 N ATOM 1440 CA SER A 94 -9.540 8.256 5.356 1.00 0.00 C ATOM 1441 C SER A 94 -9.983 8.814 4.023 1.00 0.00 C ATOM 1442 O SER A 94 -9.147 9.367 3.305 1.00 0.00 O ATOM 1443 CB SER A 94 -9.530 9.332 6.445 1.00 0.00 C ATOM 1444 OG SER A 94 -9.108 8.723 7.650 1.00 0.00 O ATOM 0 H SER A 94 -7.465 8.357 5.204 1.00 0.00 H new ATOM 0 HA SER A 94 -10.259 7.488 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.858 10.145 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.523 9.765 6.563 1.00 0.00 H new ATOM 0 HG SER A 94 -9.091 9.392 8.366 1.00 0.00 H new ATOM 1450 N SER A 95 -11.289 8.766 3.752 1.00 0.00 N ATOM 1451 CA SER A 95 -11.829 9.478 2.607 1.00 0.00 C ATOM 1452 C SER A 95 -11.546 10.987 2.780 1.00 0.00 C ATOM 1453 O SER A 95 -11.279 11.682 1.805 1.00 0.00 O ATOM 1454 CB SER A 95 -13.332 9.202 2.455 1.00 0.00 C ATOM 1455 OG SER A 95 -13.764 9.409 1.121 1.00 0.00 O ATOM 0 H SER A 95 -11.976 8.250 4.302 1.00 0.00 H new ATOM 0 HA SER A 95 -11.346 9.129 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.547 8.176 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.893 9.853 3.126 1.00 0.00 H new ATOM 0 HG SER A 95 -14.724 9.224 1.056 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.603 11.481 4.028 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.575 12.894 4.393 1.00 0.00 C ATOM 1463 C LEU A 96 -10.244 13.547 4.009 1.00 0.00 C ATOM 1464 O LEU A 96 -10.194 14.596 3.360 1.00 0.00 O ATOM 1465 CB LEU A 96 -11.775 13.085 5.911 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.189 12.794 6.440 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -13.500 11.296 6.446 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.334 13.348 7.862 1.00 0.00 C ATOM 0 H LEU A 96 -11.673 10.872 4.843 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.391 13.367 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.071 12.439 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.516 14.113 6.166 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.897 13.282 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -14.509 11.135 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.429 10.906 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.784 10.778 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.337 13.140 8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.600 12.874 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.167 14.425 7.852 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.156 12.967 4.517 1.00 0.00 N ATOM 1481 CA HIS A 97 -7.823 13.507 4.363 1.00 0.00 C ATOM 1482 C HIS A 97 -7.436 13.436 2.885 1.00 0.00 C ATOM 1483 O HIS A 97 -7.782 12.459 2.222 1.00 0.00 O ATOM 1484 CB HIS A 97 -6.862 12.707 5.252 1.00 0.00 C ATOM 1485 CG HIS A 97 -5.606 13.475 5.539 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.417 13.388 4.860 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -5.489 14.466 6.468 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -3.596 14.327 5.351 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.206 15.016 6.339 1.00 0.00 N ATOM 0 H HIS A 97 -9.186 12.099 5.052 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.776 14.551 4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.357 12.455 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.610 11.766 4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.247 14.772 7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.589 14.507 5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.812 15.784 6.883 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.676 14.413 2.374 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.351 14.488 0.944 1.00 0.00 C ATOM 1499 C VAL A 98 -5.644 13.213 0.467 1.00 0.00 C ATOM 1500 O VAL A 98 -5.763 12.823 -0.688 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.545 15.771 0.631 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.037 15.645 0.900 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.740 16.211 -0.823 1.00 0.00 C ATOM 0 H VAL A 98 -6.273 15.165 2.933 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.282 14.553 0.380 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.944 16.519 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.544 16.586 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.873 15.412 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.623 14.848 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.161 17.115 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.403 15.419 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.796 16.413 -1.004 1.00 0.00 H new ATOM 1513 N SER A 99 -4.956 12.517 1.371 1.00 0.00 N ATOM 1514 CA SER A 99 -4.309 11.250 1.102 1.00 0.00 C ATOM 1515 C SER A 99 -5.289 10.184 0.557 1.00 0.00 C ATOM 1516 O SER A 99 -4.836 9.209 -0.033 1.00 0.00 O ATOM 1517 CB SER A 99 -3.547 10.840 2.373 1.00 0.00 C ATOM 1518 OG SER A 99 -4.339 10.893 3.548 1.00 0.00 O ATOM 0 H SER A 99 -4.835 12.834 2.333 1.00 0.00 H new ATOM 0 HA SER A 99 -3.589 11.349 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.165 9.827 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.683 11.494 2.496 1.00 0.00 H new ATOM 0 HG SER A 99 -4.275 11.786 3.946 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.608 10.353 0.720 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.641 9.473 0.194 1.00 0.00 C ATOM 1526 C GLY A 100 -7.856 9.733 -1.289 1.00 0.00 C ATOM 1527 O GLY A 100 -7.697 8.809 -2.082 1.00 0.00 O ATOM 0 H GLY A 100 -6.992 11.140 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.355 8.433 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.573 9.632 0.736 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.153 10.983 -1.680 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.270 11.343 -3.097 1.00 0.00 C ATOM 1533 C GLU A 101 -6.964 11.060 -3.848 1.00 0.00 C ATOM 1534 O GLU A 101 -6.975 10.757 -5.042 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.721 12.798 -3.306 1.00 0.00 C ATOM 1536 CG GLU A 101 -7.752 13.840 -2.739 1.00 0.00 C ATOM 1537 CD GLU A 101 -7.884 15.201 -3.409 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -8.701 16.029 -2.947 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -7.139 15.458 -4.384 1.00 0.00 O ATOM 0 H GLU A 101 -8.315 11.757 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.053 10.710 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.848 12.978 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.698 12.935 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.929 13.949 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.730 13.480 -2.858 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.834 11.138 -3.142 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.539 10.770 -3.677 1.00 0.00 C ATOM 1548 C GLN A 102 -4.582 9.293 -4.068 1.00 0.00 C ATOM 1549 O GLN A 102 -4.409 8.964 -5.246 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.416 11.113 -2.712 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.327 12.638 -2.623 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.046 13.267 -3.130 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -0.968 13.071 -2.590 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -2.158 14.142 -4.114 1.00 0.00 N ATOM 0 H GLN A 102 -5.801 11.462 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.320 11.352 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.612 10.684 -1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.472 10.695 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.161 13.062 -3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.461 12.928 -1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.063 14.297 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.339 14.662 -4.430 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.888 8.425 -3.093 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.961 6.981 -3.270 1.00 0.00 C ATOM 1565 C LEU A 103 -5.959 6.582 -4.351 1.00 0.00 C ATOM 1566 O LEU A 103 -5.776 5.550 -4.982 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.336 6.297 -1.938 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.741 4.891 -1.740 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.227 4.822 -1.845 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.143 4.362 -0.356 1.00 0.00 C ATOM 0 H LEU A 103 -5.095 8.722 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.974 6.647 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.009 6.933 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.422 6.228 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.143 4.287 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.898 3.794 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.915 5.160 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.780 5.463 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.724 3.366 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.761 5.032 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.230 4.312 -0.287 1.00 0.00 H new ATOM 1582 N SER A 104 -6.999 7.375 -4.598 1.00 0.00 N ATOM 1583 CA SER A 104 -8.016 7.108 -5.620 1.00 0.00 C ATOM 1584 C SER A 104 -7.430 6.929 -7.020 1.00 0.00 C ATOM 1585 O SER A 104 -7.921 6.104 -7.795 1.00 0.00 O ATOM 1586 CB SER A 104 -9.028 8.250 -5.672 1.00 0.00 C ATOM 1587 OG SER A 104 -9.614 8.467 -4.406 1.00 0.00 O ATOM 0 H SER A 104 -7.164 8.240 -4.084 1.00 0.00 H new ATOM 0 HA SER A 104 -8.493 6.172 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.535 9.162 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.805 8.019 -6.401 1.00 0.00 H new ATOM 0 HG SER A 104 -8.909 8.593 -3.737 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.359 7.657 -7.335 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.605 7.538 -8.585 1.00 0.00 C ATOM 1595 C GLN A 105 -4.932 6.161 -8.716 1.00 0.00 C ATOM 1596 O GLN A 105 -4.387 5.820 -9.763 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.543 8.642 -8.592 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.154 10.055 -8.613 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.099 11.115 -8.330 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.695 11.869 -9.213 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.556 11.133 -7.124 1.00 0.00 N ATOM 0 H GLN A 105 -5.980 8.368 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.286 7.641 -9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.910 8.537 -7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.900 8.516 -9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.610 10.242 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.949 10.122 -7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.900 10.502 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.793 11.778 -6.918 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.962 5.377 -7.641 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.341 4.084 -7.443 1.00 0.00 C ATOM 1612 C LEU A 106 -5.389 3.116 -6.875 1.00 0.00 C ATOM 1613 O LEU A 106 -5.077 2.268 -6.043 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.147 4.230 -6.486 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.146 5.349 -6.806 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.191 5.490 -5.623 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.366 5.054 -8.088 1.00 0.00 C ATOM 0 H LEU A 106 -5.475 5.667 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.971 3.689 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.534 4.396 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.607 3.284 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.689 6.280 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.470 6.281 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.757 5.740 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.663 4.549 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.667 5.867 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.814 4.121 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.060 4.963 -8.924 1.00 0.00 H new ATOM 1629 N THR A 107 -6.651 3.300 -7.277 1.00 0.00 N ATOM 1630 CA THR A 107 -7.823 2.515 -6.887 1.00 0.00 C ATOM 1631 C THR A 107 -8.075 2.457 -5.374 1.00 0.00 C ATOM 1632 O THR A 107 -8.832 1.606 -4.911 1.00 0.00 O ATOM 1633 CB THR A 107 -7.847 1.143 -7.595 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.898 0.225 -7.129 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.562 1.285 -9.086 1.00 0.00 C ATOM 0 H THR A 107 -6.895 4.049 -7.925 1.00 0.00 H new ATOM 0 HA THR A 107 -8.693 3.061 -7.252 1.00 0.00 H new ATOM 0 HB THR A 107 -8.850 0.772 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.197 0.701 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.586 0.302 -9.556 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.319 1.924 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.578 1.731 -9.227 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.487 3.380 -4.613 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.569 3.497 -3.169 1.00 0.00 C ATOM 1645 C GLY A 108 -6.887 2.341 -2.434 1.00 0.00 C ATOM 1646 O GLY A 108 -7.175 2.150 -1.252 1.00 0.00 O ATOM 0 H GLY A 108 -6.904 4.110 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.111 4.437 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.617 3.540 -2.873 1.00 0.00 H new ATOM 1650 N VAL A 109 -5.994 1.577 -3.078 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.370 0.413 -2.460 1.00 0.00 C ATOM 1652 C VAL A 109 -3.964 0.181 -3.040 1.00 0.00 C ATOM 1653 O VAL A 109 -3.800 0.016 -4.251 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.336 -0.782 -2.609 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.613 -1.200 -4.052 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.833 -1.960 -1.791 1.00 0.00 C ATOM 0 H VAL A 109 -5.689 1.752 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.204 0.563 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.297 -0.441 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.301 -2.046 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.058 -0.365 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.678 -1.488 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.520 -2.799 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.844 -2.252 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.774 -1.675 -0.741 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.932 0.180 -2.187 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.537 0.058 -2.606 1.00 0.00 C ATOM 1668 C ALA A 110 -0.678 -0.597 -1.517 1.00 0.00 C ATOM 1669 O ALA A 110 -1.191 -0.936 -0.454 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.023 1.451 -2.993 1.00 0.00 C ATOM 0 H ALA A 110 -3.047 0.265 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.468 -0.599 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.018 1.380 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.624 1.846 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.097 2.118 -2.134 1.00 0.00 H new ATOM 1676 N ALA A 111 0.621 -0.787 -1.757 1.00 0.00 N ATOM 1677 CA ALA A 111 1.602 -1.193 -0.760 1.00 0.00 C ATOM 1678 C ALA A 111 3.020 -0.881 -1.245 1.00 0.00 C ATOM 1679 O ALA A 111 3.327 -1.027 -2.430 1.00 0.00 O ATOM 1680 CB ALA A 111 1.498 -2.695 -0.460 1.00 0.00 C ATOM 0 H ALA A 111 1.028 -0.657 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 111 1.393 -0.632 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.242 -2.969 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.502 -2.922 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.676 -3.262 -1.374 1.00 0.00 H new ATOM 1686 N ILE A 112 3.887 -0.517 -0.304 1.00 0.00 N ATOM 1687 CA ILE A 112 5.313 -0.326 -0.499 1.00 0.00 C ATOM 1688 C ILE A 112 5.959 -1.693 -0.394 1.00 0.00 C ATOM 1689 O ILE A 112 5.536 -2.526 0.419 1.00 0.00 O ATOM 1690 CB ILE A 112 5.893 0.601 0.592 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.254 1.994 0.483 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.427 0.693 0.467 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.591 2.902 1.664 1.00 0.00 C ATOM 0 H ILE A 112 3.597 -0.340 0.658 1.00 0.00 H new ATOM 0 HA ILE A 112 5.505 0.135 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 112 5.661 0.183 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.588 2.469 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.172 1.886 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.817 1.350 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.862 -0.300 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.689 1.094 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.110 3.871 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.233 2.446 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.671 3.038 1.722 1.00 0.00 H new ATOM 1705 N LEU A 113 7.022 -1.890 -1.169 1.00 0.00 N ATOM 1706 CA LEU A 113 7.753 -3.134 -1.216 1.00 0.00 C ATOM 1707 C LEU A 113 9.182 -2.908 -0.745 1.00 0.00 C ATOM 1708 O LEU A 113 9.781 -1.862 -1.011 1.00 0.00 O ATOM 1709 CB LEU A 113 7.705 -3.740 -2.620 1.00 0.00 C ATOM 1710 CG LEU A 113 6.291 -3.788 -3.233 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.340 -4.114 -4.719 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.409 -4.817 -2.540 1.00 0.00 C ATOM 0 H LEU A 113 7.399 -1.173 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 113 7.284 -3.852 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.355 -3.162 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.108 -4.752 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 113 5.864 -2.795 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.327 -4.140 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.917 -3.350 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.812 -5.086 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.421 -4.820 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.858 -5.806 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.315 -4.564 -1.484 1.00 0.00 H new ATOM 1724 N ARG A 114 9.742 -3.909 -0.073 1.00 0.00 N ATOM 1725 CA ARG A 114 11.099 -3.912 0.485 1.00 0.00 C ATOM 1726 C ARG A 114 12.156 -4.155 -0.589 1.00 0.00 C ATOM 1727 O ARG A 114 13.322 -3.792 -0.442 1.00 0.00 O ATOM 1728 CB ARG A 114 11.195 -5.040 1.520 1.00 0.00 C ATOM 1729 CG ARG A 114 10.112 -4.933 2.597 1.00 0.00 C ATOM 1730 CD ARG A 114 10.226 -6.067 3.600 1.00 0.00 C ATOM 1731 NE ARG A 114 11.135 -5.665 4.671 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.056 -6.029 5.944 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.254 -7.019 6.325 1.00 0.00 N ATOM 1734 NH2 ARG A 114 11.806 -5.389 6.822 1.00 0.00 N ATOM 0 H ARG A 114 9.244 -4.781 0.108 1.00 0.00 H new ATOM 0 HA ARG A 114 11.285 -2.936 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 114 11.108 -6.002 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.177 -5.015 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.201 -3.977 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.127 -4.953 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.245 -6.308 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.596 -6.967 3.110 1.00 0.00 H new ATOM 0 HE ARG A 114 11.904 -5.045 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.688 -7.511 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.205 -7.286 7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.424 -4.638 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.768 -5.646 7.808 1.00 0.00 H new ATOM 1748 N PHE A 115 11.754 -4.802 -1.672 1.00 0.00 N ATOM 1749 CA PHE A 115 12.572 -5.151 -2.810 1.00 0.00 C ATOM 1750 C PHE A 115 11.651 -5.117 -4.027 1.00 0.00 C ATOM 1751 O PHE A 115 10.433 -5.259 -3.870 1.00 0.00 O ATOM 1752 CB PHE A 115 13.215 -6.531 -2.595 1.00 0.00 C ATOM 1753 CG PHE A 115 12.308 -7.588 -2.003 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.445 -8.340 -2.824 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.347 -7.822 -0.616 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.670 -9.363 -2.250 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.529 -8.806 -0.041 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.714 -9.596 -0.864 1.00 0.00 C ATOM 0 H PHE A 115 10.789 -5.114 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 115 13.398 -4.454 -2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.587 -6.892 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 115 14.079 -6.412 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.379 -8.133 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.010 -7.241 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.037 -9.973 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.527 -8.954 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.118 -10.386 -0.432 1.00 0.00 H new ATOM 1768 N PRO A 116 12.202 -4.894 -5.225 1.00 0.00 N ATOM 1769 CA PRO A 116 11.437 -4.838 -6.448 1.00 0.00 C ATOM 1770 C PRO A 116 10.914 -6.245 -6.730 1.00 0.00 C ATOM 1771 O PRO A 116 11.698 -7.184 -6.911 1.00 0.00 O ATOM 1772 CB PRO A 116 12.402 -4.289 -7.498 1.00 0.00 C ATOM 1773 CG PRO A 116 13.793 -4.655 -6.997 1.00 0.00 C ATOM 1774 CD PRO A 116 13.625 -4.780 -5.487 1.00 0.00 C ATOM 0 HA PRO A 116 10.558 -4.193 -6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.209 -4.727 -8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.294 -3.210 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.142 -5.589 -7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.524 -3.888 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.157 -5.654 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.042 -3.910 -4.980 1.00 0.00 H new ATOM 1782 N VAL A 117 9.593 -6.419 -6.687 1.00 0.00 N ATOM 1783 CA VAL A 117 8.961 -7.705 -6.956 1.00 0.00 C ATOM 1784 C VAL A 117 9.313 -8.090 -8.407 1.00 0.00 C ATOM 1785 O VAL A 117 9.360 -7.211 -9.278 1.00 0.00 O ATOM 1786 CB VAL A 117 7.444 -7.590 -6.691 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.615 -8.795 -7.171 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.137 -7.427 -5.193 1.00 0.00 C ATOM 0 H VAL A 117 8.934 -5.672 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 117 9.321 -8.498 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 117 7.158 -6.709 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.562 -8.626 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.739 -8.916 -8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.956 -9.697 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.059 -7.350 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.515 -8.292 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.619 -6.524 -4.819 1.00 0.00 H new ATOM 1798 N PRO A 118 9.566 -9.379 -8.698 1.00 0.00 N ATOM 1799 CA PRO A 118 9.938 -9.846 -10.029 1.00 0.00 C ATOM 1800 C PRO A 118 8.735 -9.895 -10.989 1.00 0.00 C ATOM 1801 O PRO A 118 8.325 -10.966 -11.447 1.00 0.00 O ATOM 1802 CB PRO A 118 10.618 -11.199 -9.799 1.00 0.00 C ATOM 1803 CG PRO A 118 9.976 -11.721 -8.522 1.00 0.00 C ATOM 1804 CD PRO A 118 9.742 -10.444 -7.723 1.00 0.00 C ATOM 0 HA PRO A 118 10.619 -9.161 -10.534 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.451 -11.877 -10.636 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.697 -11.090 -9.688 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.044 -12.250 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.629 -12.416 -7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.861 -10.539 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.587 -10.235 -7.067 1.00 0.00 H new ATOM 1812 N SER A 119 8.184 -8.726 -11.313 1.00 0.00 N ATOM 1813 CA SER A 119 7.176 -8.500 -12.343 1.00 0.00 C ATOM 1814 C SER A 119 7.443 -7.202 -13.132 1.00 0.00 C ATOM 1815 O SER A 119 6.634 -6.841 -13.991 1.00 0.00 O ATOM 1816 CB SER A 119 5.779 -8.498 -11.706 1.00 0.00 C ATOM 1817 OG SER A 119 5.492 -9.717 -11.031 1.00 0.00 O ATOM 0 H SER A 119 8.445 -7.863 -10.835 1.00 0.00 H new ATOM 0 HA SER A 119 7.230 -9.315 -13.065 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.704 -7.669 -11.002 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.030 -8.328 -12.479 1.00 0.00 H new ATOM 0 HG SER A 119 4.595 -9.671 -10.640 1.00 0.00 H new ATOM 1823 N GLY A 120 8.566 -6.515 -12.889 1.00 0.00 N ATOM 1824 CA GLY A 120 8.930 -5.284 -13.587 1.00 0.00 C ATOM 1825 C GLY A 120 8.209 -4.045 -13.038 1.00 0.00 C ATOM 1826 O GLY A 120 7.479 -4.157 -12.048 1.00 0.00 O ATOM 0 H GLY A 120 9.253 -6.805 -12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 120 10.007 -5.134 -13.510 1.00 0.00 H new ATOM 0 HA3 GLY A 120 8.698 -5.392 -14.647 1.00 0.00 H new ATOM 1830 N PRO A 121 8.438 -2.867 -13.644 1.00 0.00 N ATOM 1831 CA PRO A 121 8.031 -1.591 -13.078 1.00 0.00 C ATOM 1832 C PRO A 121 6.549 -1.327 -13.339 1.00 0.00 C ATOM 1833 O PRO A 121 5.717 -1.338 -12.434 1.00 0.00 O ATOM 1834 CB PRO A 121 8.948 -0.545 -13.741 1.00 0.00 C ATOM 1835 CG PRO A 121 9.367 -1.175 -15.068 1.00 0.00 C ATOM 1836 CD PRO A 121 9.325 -2.674 -14.782 1.00 0.00 C ATOM 0 HA PRO A 121 8.135 -1.563 -11.993 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.423 0.397 -13.899 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.814 -0.326 -13.116 1.00 0.00 H new ATOM 0 HG2 PRO A 121 8.687 -0.901 -15.874 1.00 0.00 H new ATOM 0 HG3 PRO A 121 10.364 -0.852 -15.368 1.00 0.00 H new ATOM 0 HD2 PRO A 121 8.961 -3.222 -15.651 1.00 0.00 H new ATOM 0 HD3 PRO A 121 10.323 -3.052 -14.561 1.00 0.00 H new ATOM 1844 N SER A 122 6.242 -1.000 -14.587 1.00 0.00 N ATOM 1845 CA SER A 122 4.958 -0.613 -15.134 1.00 0.00 C ATOM 1846 C SER A 122 5.028 -0.959 -16.624 1.00 0.00 C ATOM 1847 O SER A 122 6.072 -1.427 -17.104 1.00 0.00 O ATOM 1848 CB SER A 122 4.699 0.879 -14.850 1.00 0.00 C ATOM 1849 OG SER A 122 5.879 1.669 -14.952 1.00 0.00 O ATOM 0 H SER A 122 6.962 -1.001 -15.310 1.00 0.00 H new ATOM 0 HA SER A 122 4.116 -1.137 -14.681 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.953 1.254 -15.551 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.279 0.987 -13.850 1.00 0.00 H new ATOM 0 HG SER A 122 5.662 2.606 -14.765 1.00 0.00 H new ATOM 1855 N SER A 123 3.940 -0.781 -17.363 1.00 0.00 N ATOM 1856 CA SER A 123 3.863 -1.227 -18.741 1.00 0.00 C ATOM 1857 C SER A 123 3.092 -0.217 -19.594 1.00 0.00 C ATOM 1858 O SER A 123 2.442 0.708 -19.090 1.00 0.00 O ATOM 1859 CB SER A 123 3.229 -2.627 -18.722 1.00 0.00 C ATOM 1860 OG SER A 123 3.453 -3.324 -19.929 1.00 0.00 O ATOM 0 H SER A 123 3.093 -0.326 -17.023 1.00 0.00 H new ATOM 0 HA SER A 123 4.848 -1.292 -19.203 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.640 -3.200 -17.891 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.157 -2.537 -18.548 1.00 0.00 H new ATOM 0 HG SER A 123 3.037 -4.210 -19.877 1.00 0.00 H new ATOM 1866 N GLY A 124 3.155 -0.431 -20.900 1.00 0.00 N ATOM 1867 CA GLY A 124 2.379 0.206 -21.943 1.00 0.00 C ATOM 1868 C GLY A 124 2.226 -0.809 -23.059 1.00 0.00 C ATOM 1869 O GLY A 124 1.708 -0.468 -24.140 1.00 0.00 O ATOM 0 H GLY A 124 3.807 -1.114 -21.285 1.00 0.00 H new ATOM 0 HA2 GLY A 124 1.404 0.515 -21.565 1.00 0.00 H new ATOM 0 HA3 GLY A 124 2.880 1.104 -22.304 1.00 0.00 H new TER 1873 GLY A 124